Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | Clc1cc(ccc1NC(=O)C(O)(C)C(F)(F)F)S(=O)(=O)c2ccc(C(=O)N(C)C)cc2 |
SMILES_CANONICAL | CACTVS | 3.341 | CN(C)C(=O)c1ccc(cc1)[S](=O)(=O)c2ccc(NC(=O)[C@@](C)(O)C(F)(F)F)c(Cl)c2 |
SMILES | CACTVS | 3.341 | CN(C)C(=O)c1ccc(cc1)[S](=O)(=O)c2ccc(NC(=O)[C](C)(O)C(F)(F)F)c(Cl)c2 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | C[C@@](C(=O)Nc1ccc(cc1Cl)S(=O)(=O)c2ccc(cc2)C(=O)N(C)C)(C(F)(F)F)O |
SMILES | OpenEye OEToolkits | 1.5.0 | CC(C(=O)Nc1ccc(cc1Cl)S(=O)(=O)c2ccc(cc2)C(=O)N(C)C)(C(F)(F)F)O |
InChI | InChI | 1.03 | InChI=1S/C19H18ClF3N2O5S/c1-18(28,19(21,22)23)17(27)24-15-9-8-13(10-14(15)20)31(29,30)12-6-4-11(5-7-12)16(26)25(2)3/h4-10,28H,1-3H3,(H,24,27)/t18-/m1/s1 |
InChIKey | InChI | 1.03 | DTDZLJHKVNTQGZ-GOSISDBHSA-N |