| 種別 | プログラム | バージョン | 表記 |
| SMILES_CANONICAL | CACTVS | 3.352 | CN(C)[C@@H]1CCc2cc(ccc12)N3CC[C@H](N[S](=O)(=O)c4ccc5cc(Cl)ccc5c4)C3=O |
| SMILES | CACTVS | 3.352 | CN(C)[CH]1CCc2cc(ccc12)N3CC[CH](N[S](=O)(=O)c4ccc5cc(Cl)ccc5c4)C3=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.6.1 | CN(C)[C@@H]1CCc2c1ccc(c2)N3CC[C@@H](C3=O)NS(=O)(=O)c4ccc5cc(ccc5c4)Cl |
| SMILES | OpenEye OEToolkits | 1.6.1 | CN(C)C1CCc2c1ccc(c2)N3CCC(C3=O)NS(=O)(=O)c4ccc5cc(ccc5c4)Cl |
| InChI | InChI | 1.03 | InChI=1S/C25H26ClN3O3S/c1-28(2)24-10-5-18-14-20(7-9-22(18)24)29-12-11-23(25(29)30)27-33(31,32)21-8-4-16-13-19(26)6-3-17(16)15-21/h3-4,6-9,13-15,23-24,27H,5,10-12H2,1-2H3/t23-,24+/m0/s1 |
| InChIKey | InChI | 1.03 | DBFTVRMJVISJEX-BJKOFHAPSA-N |
