| 種別 | プログラム | バージョン | 表記 |
| InChI | InChI | 1.03 | InChI=1S/C29H37FN6O4S/c1-21(2)35-10-8-34(9-11-35)20-22-4-5-25(26(30)16-22)27-17-23(6-7-31-27)33-41(37,38)28-18-24(19-32-29(28)39-3)36-12-14-40-15-13-36/h4-7,16-19,21H,8-15,20H2,1-3H3,(H,31,33) |
| InChIKey | InChI | 1.03 | ODQVPYNCHSLNGV-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COc1ncc(cc1[S](=O)(=O)Nc2ccnc(c2)c3ccc(CN4CCN(CC4)C(C)C)cc3F)N5CCOCC5 |
| SMILES | CACTVS | 3.385 | COc1ncc(cc1[S](=O)(=O)Nc2ccnc(c2)c3ccc(CN4CCN(CC4)C(C)C)cc3F)N5CCOCC5 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC(C)N1CCN(CC1)Cc2ccc(c(c2)F)c3cc(ccn3)NS(=O)(=O)c4cc(cnc4OC)N5CCOCC5 |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC(C)N1CCN(CC1)Cc2ccc(c(c2)F)c3cc(ccn3)NS(=O)(=O)c4cc(cnc4OC)N5CCOCC5 |
