GA6
Summary
| Name: | 3-[4-(methylsulfonylamino)phenyl]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 | 2.0.6 | 3-[4-(methylsulfonylamino)phenyl]benzoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C14H13NO4S/c1-20(18,19)15-13-7-5-10(6-8-13)11-3-2-4-12(9-11)14(16)17/h2-9,15H,1H3,(H,16,17) |
| InChIKey | InChI | 1.03 | DYJLEZXYMJHNOA-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C[S](=O)(=O)Nc1ccc(cc1)c2cccc(c2)C(O)=O |
| SMILES | CACTVS | 3.385 | C[S](=O)(=O)Nc1ccc(cc1)c2cccc(c2)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | CS(=O)(=O)Nc1ccc(cc1)c2cccc(c2)C(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.6 | CS(=O)(=O)Nc1ccc(cc1)c2cccc(c2)C(=O)O |
