Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | O=S(=O)(N(c1ccccc1)CC)c2ccc(NC(=O)C(O)(C)C(F)(F)F)c(c2)C |
SMILES_CANONICAL | CACTVS | 3.341 | CCN(c1ccccc1)[S](=O)(=O)c2ccc(NC(=O)[C@@](C)(O)C(F)(F)F)c(C)c2 |
SMILES | CACTVS | 3.341 | CCN(c1ccccc1)[S](=O)(=O)c2ccc(NC(=O)[C](C)(O)C(F)(F)F)c(C)c2 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CC[N@@](c1ccccc1)S(=O)(=O)c2ccc(c(c2)C)NC(=O)[C@](C)(C(F)(F)F)O |
SMILES | OpenEye OEToolkits | 1.5.0 | CCN(c1ccccc1)S(=O)(=O)c2ccc(c(c2)C)NC(=O)C(C)(C(F)(F)F)O |
InChI | InChI | 1.03 | InChI=1S/C19H21F3N2O4S/c1-4-24(14-8-6-5-7-9-14)29(27,28)15-10-11-16(13(2)12-15)23-17(25)18(3,26)19(20,21)22/h5-12,26H,4H2,1-3H3,(H,23,25)/t18-/m1/s1 |
InChIKey | InChI | 1.03 | SHEIQJGQDUYUBE-GOSISDBHSA-N |