| 種別 | プログラム | バージョン | 表記 |
| SMILES | ACDLabs | 10.04 | O=C(NC(c1ccc(Br)cc1)C)C2(S(=O)C)C(C)C2(Cl)Cl |
| InChI | InChI | 1.03 | InChI=1S/C14H16BrCl2NO2S/c1-8(10-4-6-11(15)7-5-10)18-12(19)13(21(3)20)9(2)14(13,16)17/h4-9H,1-3H3,(H,18,19)/t8-,9-,13-,21+/m1/s1 |
| InChIKey | InChI | 1.03 | VMASMYSTIDDLTO-JOSUJJRFSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C[C@@H](NC(=O)[C@@]1([C@@H](C)C1(Cl)Cl)[S@](C)=O)c2ccc(Br)cc2 |
| SMILES | CACTVS | 3.385 | C[CH](NC(=O)[C]1([CH](C)C1(Cl)Cl)[S](C)=O)c2ccc(Br)cc2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.5 | C[C@@H]1[C@](C1(Cl)Cl)(C(=O)N[C@H](C)c2ccc(cc2)Br)[S@@](=O)C |
| SMILES | OpenEye OEToolkits | 1.7.5 | CC1C(C1(Cl)Cl)(C(=O)NC(C)c2ccc(cc2)Br)S(=O)C |
