種別 | プログラム | バージョン | 表記 |
InChI | InChI | 1.06 | InChI=1S/C19H17ClF5NO4S2/c20-12-1-4-15(5-2-12)31(27,28)18(16-11-13(21)3-6-17(16)22)9-7-14(8-10-18)26-32(29,30)19(23,24)25/h1-6,11,14,26H,7-10H2/t14-,18+ |
InChIKey | InChI | 1.06 | WDZVWDXOIGQJIO-UJKQEGAGSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | Fc1ccc(F)c(c1)[C@]2(CC[C@@H](CC2)N[S](=O)(=O)C(F)(F)F)[S](=O)(=O)c3ccc(Cl)cc3 |
SMILES | CACTVS | 3.385 | Fc1ccc(F)c(c1)[C]2(CC[CH](CC2)N[S](=O)(=O)C(F)(F)F)[S](=O)(=O)c3ccc(Cl)cc3 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc(ccc1S(=O)(=O)C2(CCC(CC2)NS(=O)(=O)C(F)(F)F)c3cc(ccc3F)F)Cl |
SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(ccc1S(=O)(=O)C2(CCC(CC2)NS(=O)(=O)C(F)(F)F)c3cc(ccc3F)F)Cl |