Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | O=S(=O)(Nc1ccc(cc1C(=O)O)C)c2ccccc2 |
SMILES_CANONICAL | CACTVS | 3.341 | Cc1ccc(N[S](=O)(=O)c2ccccc2)c(c1)C(O)=O |
SMILES | CACTVS | 3.341 | Cc1ccc(N[S](=O)(=O)c2ccccc2)c(c1)C(O)=O |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | Cc1ccc(c(c1)C(=O)O)NS(=O)(=O)c2ccccc2 |
SMILES | OpenEye OEToolkits | 1.5.0 | Cc1ccc(c(c1)C(=O)O)NS(=O)(=O)c2ccccc2 |
InChI | InChI | 1.03 | InChI=1S/C14H13NO4S/c1-10-7-8-13(12(9-10)14(16)17)15-20(18,19)11-5-3-2-4-6-11/h2-9,15H,1H3,(H,16,17) |
InChIKey | InChI | 1.03 | HXQLTRSIZRSFTR-UHFFFAOYSA-N |