4SO
Summary
| Name: | 4-sulfamoylbenzoic acid |
| Formula: | C7 H7 N O4 S |
| Formal charge: | 0 |
| Formula weight: | 201.2 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 4-sulfamoylbenzoic acid |
| OpenEye OEToolkits | 1.7.0 | 4-sulfamoylbenzoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=S(=O)(N)c1ccc(C(=O)O)cc1 |
| SMILES_CANONICAL | CACTVS | 3.370 | N[S](=O)(=O)c1ccc(cc1)C(O)=O |
| SMILES | CACTVS | 3.370 | N[S](=O)(=O)c1ccc(cc1)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | c1cc(ccc1C(=O)O)S(=O)(=O)N |
| SMILES | OpenEye OEToolkits | 1.7.0 | c1cc(ccc1C(=O)O)S(=O)(=O)N |
| InChI | InChI | 1.03 | InChI=1S/C7H7NO4S/c8-13(11,12)6-3-1-5(2-4-6)7(9)10/h1-4H,(H,9,10)(H2,8,11,12) |
| InChIKey | InChI | 1.03 | UCAGLBKTLXCODC-UHFFFAOYSA-N |
