| 種別 | プログラム | バージョン | 表記 |
| SMILES | ACDLabs | 12.01 | O=S(=O)(NC3CC(C(=O)NCC(c1ccccc1)c2ccccc2)CNC3)c4ccc(cc4)C |
| InChI | InChI | 1.03 | InChI=1S/C27H31N3O3S/c1-20-12-14-25(15-13-20)34(32,33)30-24-16-23(17-28-18-24)27(31)29-19-26(21-8-4-2-5-9-21)22-10-6-3-7-11-22/h2-15,23-24,26,28,30H,16-19H2,1H3,(H,29,31)/t23-,24+/m0/s1 |
| InChIKey | InChI | 1.03 | TUYPQRDSHLXMFM-BJKOFHAPSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | Cc1ccc(cc1)[S](=O)(=O)N[C@H]2CNC[C@H](C2)C(=O)NCC(c3ccccc3)c4ccccc4 |
| SMILES | CACTVS | 3.370 | Cc1ccc(cc1)[S](=O)(=O)N[CH]2CNC[CH](C2)C(=O)NCC(c3ccccc3)c4ccccc4 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | Cc1ccc(cc1)S(=O)(=O)N[C@@H]2C[C@@H](CNC2)C(=O)NCC(c3ccccc3)c4ccccc4 |
| SMILES | OpenEye OEToolkits | 1.7.6 | Cc1ccc(cc1)S(=O)(=O)NC2CC(CNC2)C(=O)NCC(c3ccccc3)c4ccccc4 |
