4A1
Summary
| Name: | 2-[(propylsulfonyl)amino]benzoic acid |
| Formula: | C10 H13 N O4 S |
| Formal charge: | 0 |
| Formula weight: | 243.28 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 2-[(propylsulfonyl)amino]benzoic acid |
| OpenEye OEToolkits | 1.7.6 | 2-(propylsulfonylamino)benzoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=S(=O)(Nc1ccccc1C(=O)O)CCC |
| InChI | InChI | 1.03 | InChI=1S/C10H13NO4S/c1-2-7-16(14,15)11-9-6-4-3-5-8(9)10(12)13/h3-6,11H,2,7H2,1H3,(H,12,13) |
| InChIKey | InChI | 1.03 | YEXKFOGSUASBRA-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | CCC[S](=O)(=O)Nc1ccccc1C(O)=O |
| SMILES | CACTVS | 3.370 | CCC[S](=O)(=O)Nc1ccccc1C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | CCCS(=O)(=O)Nc1ccccc1C(=O)O |
| SMILES | OpenEye OEToolkits | 1.7.6 | CCCS(=O)(=O)Nc1ccccc1C(=O)O |
