Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | O=S(=O)(Nc1ccc(c(c1C(=O)O)C)CC)c2ccc(F)cc2 |
SMILES_CANONICAL | CACTVS | 3.341 | CCc1ccc(N[S](=O)(=O)c2ccc(F)cc2)c(C(O)=O)c1C |
SMILES | CACTVS | 3.341 | CCc1ccc(N[S](=O)(=O)c2ccc(F)cc2)c(C(O)=O)c1C |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CCc1ccc(c(c1C)C(=O)O)NS(=O)(=O)c2ccc(cc2)F |
SMILES | OpenEye OEToolkits | 1.5.0 | CCc1ccc(c(c1C)C(=O)O)NS(=O)(=O)c2ccc(cc2)F |
InChI | InChI | 1.03 | InChI=1S/C16H16FNO4S/c1-3-11-4-9-14(15(10(11)2)16(19)20)18-23(21,22)13-7-5-12(17)6-8-13/h4-9,18H,3H2,1-2H3,(H,19,20) |
InChIKey | InChI | 1.03 | MGUQWAOYPINSIT-UHFFFAOYSA-N |