A1JQ7
Summary
| Name: | 4-[(4-methylphenyl)sulfamoyl]benzoic acid |
| Formula: | C14 H13 N O4 S |
| Formal charge: | 0 |
| Formula weight: | 291.322 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 4-[(4-methylphenyl)sulfamoyl]benzoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C14H13NO4S/c1-10-2-6-12(7-3-10)15-20(18,19)13-8-4-11(5-9-13)14(16)17/h2-9,15H,1H3,(H,16,17) |
| InChIKey | InChI | 1.06 | NWOOPPFGYBXGHY-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cc1ccc(N[S](=O)(=O)c2ccc(cc2)C(O)=O)cc1 |
| SMILES | CACTVS | 3.385 | Cc1ccc(N[S](=O)(=O)c2ccc(cc2)C(O)=O)cc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1ccc(cc1)NS(=O)(=O)c2ccc(cc2)C(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | Cc1ccc(cc1)NS(=O)(=O)c2ccc(cc2)C(=O)O |
