4MB
Summary
| Name: | 4-[(METHYLSULFONYL)AMINO]BENZOIC ACID |
| Formula: | C8 H9 N O4 S |
| Formal charge: | 0 |
| Formula weight: | 215.226 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 4-[(methylsulfonyl)amino]benzoic acid |
| OpenEye OEToolkits | 1.5.0 | 4-(methylsulfonylamino)benzoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=S(=O)(Nc1ccc(cc1)C(=O)O)C |
| SMILES_CANONICAL | CACTVS | 3.341 | C[S](=O)(=O)Nc1ccc(cc1)C(O)=O |
| SMILES | CACTVS | 3.341 | C[S](=O)(=O)Nc1ccc(cc1)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CS(=O)(=O)Nc1ccc(cc1)C(=O)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | CS(=O)(=O)Nc1ccc(cc1)C(=O)O |
| InChI | InChI | 1.03 | InChI=1S/C8H9NO4S/c1-14(12,13)9-7-4-2-6(3-5-7)8(10)11/h2-5,9H,1H3,(H,10,11) |
| InChIKey | InChI | 1.03 | SROHFTOYGFCJAF-UHFFFAOYSA-N |
