| 種別 | プログラム | バージョン | 表記 |
| InChI | InChI | 1.06 | InChI=1S/C16H15BrClNO3S2/c1-22-15-7-2-11(10-14(15)17)16-19(8-9-23-16)24(20,21)13-5-3-12(18)4-6-13/h2-7,10,16H,8-9H2,1H3/t16-/m0/s1 |
| InChIKey | InChI | 1.06 | PNGJPVDGZNPZHY-INIZCTEOSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COc1ccc(cc1Br)[C@@H]2SCCN2[S](=O)(=O)c3ccc(Cl)cc3 |
| SMILES | CACTVS | 3.385 | COc1ccc(cc1Br)[CH]2SCCN2[S](=O)(=O)c3ccc(Cl)cc3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | COc1ccc(cc1Br)[C@H]2N(CCS2)S(=O)(=O)c3ccc(cc3)Cl |
| SMILES | OpenEye OEToolkits | 2.0.7 | COc1ccc(cc1Br)C2N(CCS2)S(=O)(=O)c3ccc(cc3)Cl |
