Type | Program | Version | Descriptor |
InChI | InChI | 1.03 | InChI=1S/C16H19FN2O7S/c1-16(14(20)18-22,27(3,23)24)6-7-19-9-13(26-15(19)21)11-5-4-10(25-2)8-12(11)17/h4-5,8-9,22H,6-7H2,1-3H3,(H,18,20)/t16-/m1/s1 |
InChIKey | InChI | 1.03 | ARJXRYFNKZIMJA-MRXNPFEDSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | COc1ccc(c(F)c1)C2=CN(CC[C@](C)(C(=O)NO)[S](C)(=O)=O)C(=O)O2 |
SMILES | CACTVS | 3.385 | COc1ccc(c(F)c1)C2=CN(CC[C](C)(C(=O)NO)[S](C)(=O)=O)C(=O)O2 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | C[C@@](CCN1C=C(OC1=O)c2ccc(cc2F)OC)(C(=O)NO)S(=O)(=O)C |
SMILES | OpenEye OEToolkits | 2.0.6 | CC(CCN1C=C(OC1=O)c2ccc(cc2F)OC)(C(=O)NO)S(=O)(=O)C |