| 種別 | プログラム | バージョン | 表記 |
| SMILES | ACDLabs | 12.01 | O=C(NC1(C=[N@H])CC1)C3NCC(S(=O)(=O)c2ccccc2C(F)(F)F)C3 |
| InChI | InChI | 1.03 | InChI=1S/C16H18F3N3O3S/c17-16(18,19)11-3-1-2-4-13(11)26(24,25)10-7-12(21-8-10)14(23)22-15(9-20)5-6-15/h1-4,9-10,12,20-21H,5-8H2,(H,22,23)/b20-9+/t10-,12+/m1/s1 |
| InChIKey | InChI | 1.03 | WIKZXNNJWQPKLI-FGAGOUGJSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | FC(F)(F)c1ccccc1[S](=O)(=O)[C@H]2CN[C@@H](C2)C(=O)NC3(CC3)C=N |
| SMILES | CACTVS | 3.385 | FC(F)(F)c1ccccc1[S](=O)(=O)[CH]2CN[CH](C2)C(=O)NC3(CC3)C=N |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | [H]/N=C/C1(CC1)NC(=O)[C@@H]2C[C@H](CN2)S(=O)(=O)c3ccccc3C(F)(F)F |
| SMILES | OpenEye OEToolkits | 1.9.2 | c1ccc(c(c1)C(F)(F)F)S(=O)(=O)C2CC(NC2)C(=O)NC3(CC3)C=N |
