Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=S(=O)(Nc1cc(/C=C)ccc1C(=O)O)c2ccccc2 |
InChI | InChI | 1.03 | InChI=1S/C15H13NO4S/c1-2-11-8-9-13(15(17)18)14(10-11)16-21(19,20)12-6-4-3-5-7-12/h2-10,16H,1H2,(H,17,18) |
InChIKey | InChI | 1.03 | SWCRJSPSKPQDKL-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)c1ccc(C=C)cc1N[S](=O)(=O)c2ccccc2 |
SMILES | CACTVS | 3.385 | OC(=O)c1ccc(C=C)cc1N[S](=O)(=O)c2ccccc2 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | C=Cc1ccc(c(c1)NS(=O)(=O)c2ccccc2)C(=O)O |
SMILES | OpenEye OEToolkits | 1.9.2 | C=Cc1ccc(c(c1)NS(=O)(=O)c2ccccc2)C(=O)O |