| 種別 | プログラム | バージョン | 表記 |
| SMILES | ACDLabs | 10.04 | O=S(=O)(NCCN(C(=O)C(N3C(=O)C(NS(=O)(=O)c2cc1ccc(Cl)cc1cc2)CC3)C)C(C)C)C |
| SMILES_CANONICAL | CACTVS | 3.341 | CC(C)N(CCN[S](C)(=O)=O)C(=O)[C@H](C)N1CC[C@H](N[S](=O)(=O)c2ccc3cc(Cl)ccc3c2)C1=O |
| SMILES | CACTVS | 3.341 | CC(C)N(CCN[S](C)(=O)=O)C(=O)[CH](C)N1CC[CH](N[S](=O)(=O)c2ccc3cc(Cl)ccc3c2)C1=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CC(C)N(CCNS(=O)(=O)C)C(=O)[C@H](C)N1CC[C@@H](C1=O)NS(=O)(=O)c2ccc3cc(ccc3c2)Cl |
| SMILES | OpenEye OEToolkits | 1.5.0 | CC(C)N(CCNS(=O)(=O)C)C(=O)C(C)N1CCC(C1=O)NS(=O)(=O)c2ccc3cc(ccc3c2)Cl |
| InChI | InChI | 1.03 | InChI=1S/C23H31ClN4O6S2/c1-15(2)27(12-10-25-35(4,31)32)22(29)16(3)28-11-9-21(23(28)30)26-36(33,34)20-8-6-17-13-19(24)7-5-18(17)14-20/h5-8,13-16,21,25-26H,9-12H2,1-4H3/t16-,21-/m0/s1 |
| InChIKey | InChI | 1.03 | MTIPCPPIOZUMIV-KKSFZXQISA-N |
