種別 | プログラム | バージョン | 表記 |
SMILES | ACDLabs | 10.04 | O=C(N)c1ccc(c(Cl)c1)S(=O)(=O)N3C(CN(c2c(cc(F)cc2)C(F)(F)F)CC3)C |
SMILES_CANONICAL | CACTVS | 3.341 | C[C@@H]1CN(CCN1[S](=O)(=O)c2ccc(cc2Cl)C(N)=O)c3ccc(F)cc3C(F)(F)F |
SMILES | CACTVS | 3.341 | C[CH]1CN(CCN1[S](=O)(=O)c2ccc(cc2Cl)C(N)=O)c3ccc(F)cc3C(F)(F)F |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | C[C@@H]1C[N@](CC[N@@]1S(=O)(=O)c2ccc(cc2Cl)C(=O)N)c3ccc(cc3C(F)(F)F)F |
SMILES | OpenEye OEToolkits | 1.5.0 | CC1CN(CCN1S(=O)(=O)c2ccc(cc2Cl)C(=O)N)c3ccc(cc3C(F)(F)F)F |
InChI | InChI | 1.03 | InChI=1S/C19H18ClF4N3O3S/c1-11-10-26(16-4-3-13(21)9-14(16)19(22,23)24)6-7-27(11)31(29,30)17-5-2-12(18(25)28)8-15(17)20/h2-5,8-9,11H,6-7,10H2,1H3,(H2,25,28)/t11-/m1/s1 |
InChIKey | InChI | 1.03 | OMWNFYWEMXUREB-LLVKDONJSA-N |