QE5
Summary
| Name: | 2-[(3,4-dimethylphenyl)sulfonylamino]-5-fluoranyl-benzoic acid |
| Formula: | C15 H14 F N O4 S |
| Formal charge: | 0 |
| Formula weight: | 323.339 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 2-[(3,4-dimethylphenyl)sulfonylamino]-5-fluoranyl-benzoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C15H14FNO4S/c1-9-3-5-12(7-10(9)2)22(20,21)17-14-6-4-11(16)8-13(14)15(18)19/h3-8,17H,1-2H3,(H,18,19) |
| InChIKey | InChI | 1.03 | FDKADOFRLAUJSY-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cc1ccc(cc1C)[S](=O)(=O)Nc2ccc(F)cc2C(O)=O |
| SMILES | CACTVS | 3.385 | Cc1ccc(cc1C)[S](=O)(=O)Nc2ccc(F)cc2C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1ccc(cc1C)S(=O)(=O)Nc2ccc(cc2C(=O)O)F |
| SMILES | OpenEye OEToolkits | 2.0.7 | Cc1ccc(cc1C)S(=O)(=O)Nc2ccc(cc2C(=O)O)F |
