6-[n-(3-methoxy-phenyl)-3-(morpholin-4-ylmethyl)-2h-thieno[3,2-e]-1,2-thiazine-1,1,-dioxide]-sulfonamide (INL) Summary
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- 6-[n-(3-methoxy-phenyl)-3-(morpholin-4-ylmethyl)-2h-thieno[3,2-e]-1,2-thiazine-1,1,-dioxide]-sulfonamide (INL) Summary
- Dihedrals
Dihedrals Table
| Dih. | Atom names | Experimental | Type |
|---|---|---|---|
| 1 | S.1-C.5-C.6-C.76-5-4-0 S.7-C.6-C.5-C.1 | 178.578 | Rigid |
| 2 | S.1-C.5-S.9-C.87-8-4-0 S.8-C.9-S.5-C.1 | -178.311 | Rigid |
| 3 | O.2-S.1-C.5-C.65-4-0-1 O.6-S.5-C.1-C.2 | 77.731 | Flexible |
| 4 | O.2-S.1-C.5-S.98-4-0-1 O.9-S.5-C.1-S.2 | -103.843 | Flexible |
| 5 | O.3-S.1-C.5-C.65-4-0-2 O.6-S.5-C.1-C.3 | -162.165 | Flexible |
| 6 | O.3-S.1-C.5-S.98-4-0-2 O.9-S.5-C.1-S.3 | 16.261 | Flexible |
| 7 | N.4-S.1-C.5-C.65-4-0-3 N.6-S.5-C.1-C.4 | -39.789 | Flexible |
| 8 | N.4-S.1-C.5-S.98-4-0-3 N.9-S.5-C.1-S.4 | 138.637 | Flexible |
| 9 | C.5-C.6-C.7-C.87-6-5-4 C.8-C.7-C.6-C.5 | -0.054 | Rigid Ring |
| 10 | C.5-C.6-C.7-C.109-6-5-4 C.10-C.7-C.6-C.5 | 177.704 | Rigid Ring |
| 11 | C.5-S.9-C.8-C.76-7-8-4 C.7-S.8-C.9-C.5 | -0.353 | Rigid Ring |
| 12 | C.5-S.9-C.8-S.1312-7-8-4 C.13-S.8-C.9-S.5 | -170.113 | Rigid Ring |
| 13 | C.6-C.5-S.9-C.87-8-4-5 C.8-C.9-S.5-C.6 | 0.327 | Rigid Ring |
| 14 | C.6-C.7-C.8-S.98-7-6-5 C.9-C.8-C.7-S.6 | 0.255 | Rigid Ring |
| 15 | C.6-C.7-C.8-S.1312-7-6-5 C.13-C.8-C.7-S.6 | 171.594 | Rigid Ring |
| 16 | C.6-C.7-C.10-C.1110-9-6-5 C.11-C.10-C.7-C.6 | 179.111 | Flexible Ring |
| 17 | C.7-C.6-C.5-S.98-4-5-6 C.9-C.5-C.6-S.7 | -0.17 | Rigid Ring |
| 18 | C.7-C.8-S.13-N.1211-12-7-6 C.12-C.13-S.8-N.7 | 17.243 | Flexible Ring |
| 19 | C.7-C.8-S.13-O.1413-12-7-6 C.14-C.13-S.8-O.7 | -98.015 | Flexible |
| 20 | C.7-C.8-S.13-O.1514-12-7-6 C.15-C.13-S.8-O.7 | 143.291 | Flexible |
| 21 | C.7-C.10-C.11-N.1211-10-9-6 C.12-C.11-C.10-N.7 | 2.128 | Rigid Ring |
| 22 | C.7-C.10-C.11-C.1615-10-9-6 C.16-C.11-C.10-C.7 | -174.061 | Rigid |
| 23 | C.8-C.7-C.10-C.1110-9-6-7 C.11-C.10-C.7-C.8 | -3.267 | Flexible Ring |
| 24 | C.8-S.13-N.12-C.1110-11-12-7 C.11-S.12-N.13-C.8 | -18.384 | Flexible Ring |
| 25 | C.8-S.13-N.12-C.2423-11-12-7 C.24-S.12-N.13-C.8 | 108.954 | Flexible |
| 26 | S.9-C.8-C.7-C.109-6-7-8 S.10-C.7-C.8-C.9 | -177.855 | Rigid Ring |
| 27 | S.9-C.8-S.13-N.1211-12-7-8 S.12-C.13-S.8-N.9 | -174.289 | Flexible Ring |
| 28 | S.9-C.8-S.13-O.1413-12-7-8 S.14-C.13-S.8-O.9 | 70.453 | Flexible |
| 29 | S.9-C.8-S.13-O.1514-12-7-8 S.15-C.13-S.8-O.9 | -48.241 | Flexible |
| 30 | C.10-C.7-C.8-S.1312-7-6-9 C.13-C.8-C.7-S.10 | -6.516 | Rigid Ring |
| 31 | C.10-C.11-N.12-S.1312-11-10-9 C.13-C.12-N.11-S.10 | 8.743 | Flexible Ring |
| 32 | C.10-C.11-N.12-C.2423-11-10-9 C.24-C.12-N.11-C.10 | -120.14 | Flexible |
| 33 | C.10-C.11-C.16-N.2221-15-10-9 C.22-C.16-C.11-N.10 | -137.579 | Flexible |
| 34 | C.11-N.12-S.13-O.1413-12-11-10 C.14-N.13-S.12-O.11 | 101.65 | Flexible |
| 35 | C.11-N.12-S.13-O.1514-12-11-10 C.15-N.13-S.12-O.11 | -143.992 | Flexible |
| 36 | C.11-N.12-C.24-C.2322-23-11-10 C.23-N.24-C.12-C.11 | -143.968 | Flexible |
| 37 | C.11-N.12-C.24-C.2524-23-11-10 C.25-N.24-C.12-C.11 | 39.823 | Flexible |
| 38 | C.11-C.16-N.22-C.1716-21-15-10 C.17-C.22-N.16-C.11 | -178.113 | Flexible |
| 39 | C.11-C.16-N.22-C.2120-21-15-10 C.21-C.22-N.16-C.11 | 52.743 | Flexible |
| 40 | N.12-C.11-C.16-N.2221-15-10-11 N.22-C.16-C.11-N.12 | 46.422 | Flexible |
| 41 | N.12-C.24-C.23-C.2827-22-23-11 N.28-C.23-C.24-C.12 | -174.654 | Rigid |
| 42 | N.12-C.24-C.25-C.2625-24-23-11 N.26-C.25-C.24-C.12 | 176.72 | Rigid |
| 43 | S.13-N.12-C.11-C.1615-10-11-12 S.16-N.11-C.12-C.13 | -174.656 | Flexible |
| 44 | S.13-N.12-C.24-C.2322-23-11-12 S.23-N.24-C.12-C.13 | 81.709 | Flexible |
| 45 | S.13-N.12-C.24-C.2524-23-11-12 S.25-N.24-C.12-C.13 | -94.5 | Flexible |
| 46 | O.14-S.13-N.12-C.2423-11-12-13 O.24-S.12-N.13-C.14 | -131.013 | Flexible |
| 47 | O.15-S.13-N.12-C.2423-11-12-14 O.24-S.12-N.13-C.15 | -16.654 | Flexible |
| 48 | C.16-C.11-N.12-C.2423-11-10-15 C.24-C.12-N.11-C.16 | 56.461 | Flexible |
| 49 | C.16-N.22-C.17-C.1817-16-21-15 C.18-N.17-C.22-C.16 | 175.437 | Rigid |
| 50 | C.16-N.22-C.21-C.2019-20-21-15 C.20-N.21-C.22-C.16 | -177.903 | Rigid |
| 51 | C.17-C.18-O.19-C.2019-18-17-16 C.20-C.19-O.18-C.17 | -52.121 | Rigid Ring |
| 52 | C.17-N.22-C.21-C.2019-20-21-16 C.20-N.21-C.22-C.17 | 52.369 | Rigid Ring |
| 53 | C.18-C.17-N.22-C.2120-21-16-17 C.21-C.22-N.17-C.18 | -55.383 | Rigid Ring |
| 54 | C.18-O.19-C.20-C.2120-19-18-17 C.21-O.20-C.19-C.18 | 49.977 | Rigid Ring |
| 55 | O.19-C.18-C.17-N.2221-16-17-18 O.22-C.17-C.18-N.19 | 54.67 | Rigid Ring |
| 56 | O.19-C.20-C.21-N.2221-20-19-18 O.22-C.21-C.20-N.19 | -48.892 | Rigid Ring |
| 57 | C.23-C.24-C.25-C.2625-24-23-22 C.26-C.25-C.24-C.23 | 0.476 | Rigid Ring |
| 58 | C.23-C.28-C.27-C.2625-26-27-22 C.26-C.27-C.28-C.23 | 4.06 | Rigid Ring |
| 59 | C.23-C.28-O.29-C.3029-28-27-22 C.30-C.29-O.28-C.23 | 18.193 | Flexible |
| 60 | C.24-C.23-C.28-C.2726-27-22-23 C.27-C.28-C.23-C.24 | -3.524 | Rigid Ring |
| 61 | C.24-C.23-C.28-O.2928-27-22-23 C.29-C.28-C.23-O.24 | 177.65 | Rigid |
| 62 | C.24-C.25-C.26-C.2726-25-24-23 C.27-C.26-C.25-C.24 | -0.137 | Rigid Ring |
| 63 | C.25-C.24-C.23-C.2827-22-23-24 C.28-C.23-C.24-C.25 | 1.6 | Rigid Ring |
| 64 | C.25-C.26-C.27-C.2827-26-25-24 C.28-C.27-C.26-C.25 | -2.324 | Rigid Ring |
| 65 | C.26-C.27-C.28-O.2928-27-26-25 C.29-C.28-C.27-O.26 | -177.09 | Rigid |
| 66 | C.27-C.28-O.29-C.3029-28-27-26 C.30-C.29-O.28-C.27 | -160.513 | Flexible |
Dihedrals Histogram