JOR
Summary
| Name: | 5-fluoranyl-2-(methylsulfonylamino)benzoic acid |
| Formula: | C8 H8 F N O4 S |
| Formal charge: | 0 |
| Formula weight: | 233.217 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 5-fluoranyl-2-(methylsulfonylamino)benzoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C8H8FNO4S/c1-15(13,14)10-7-3-2-5(9)4-6(7)8(11)12/h2-4,10H,1H3,(H,11,12) |
| InChIKey | InChI | 1.03 | QDIQHFNTURTELA-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C[S](=O)(=O)Nc1ccc(F)cc1C(O)=O |
| SMILES | CACTVS | 3.385 | C[S](=O)(=O)Nc1ccc(F)cc1C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CS(=O)(=O)Nc1ccc(cc1C(=O)O)F |
| SMILES | OpenEye OEToolkits | 2.0.7 | CS(=O)(=O)Nc1ccc(cc1C(=O)O)F |
