| 種別 | プログラム | バージョン | 表記 |
| SMILES | ACDLabs | 12.01 | C(N(Cc1cccc(CN)c1)S(c2ccc(c(c2)C)F)(=O)=O)(C(=O)NO)C |
| InChI | InChI | 1.03 | InChI=1S/C18H22FN3O4S/c1-12-8-16(6-7-17(12)19)27(25,26)22(13(2)18(23)21-24)11-15-5-3-4-14(9-15)10-20/h3-9,13,24H,10-11,20H2,1-2H3,(H,21,23)/t13-/m1/s1 |
| InChIKey | InChI | 1.03 | ZGSJCJCAZBIJKE-CYBMUJFWSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C[C@@H](N(Cc1cccc(CN)c1)[S](=O)(=O)c2ccc(F)c(C)c2)C(=O)NO |
| SMILES | CACTVS | 3.385 | C[CH](N(Cc1cccc(CN)c1)[S](=O)(=O)c2ccc(F)c(C)c2)C(=O)NO |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | Cc1cc(ccc1F)S(=O)(=O)N(Cc2cccc(c2)CN)[C@H](C)C(=O)NO |
| SMILES | OpenEye OEToolkits | 1.9.2 | Cc1cc(ccc1F)S(=O)(=O)N(Cc2cccc(c2)CN)C(C)C(=O)NO |
