H1X
Summary
| Name: | 2-[(5-tert-butyl-2-methyl-phenyl)sulfonylamino]benzoic acid |
| Formula: | C18 H21 N O4 S |
| Formal charge: | 0 |
| Formula weight: | 347.429 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 2-[(5-~{tert}-butyl-2-methyl-phenyl)sulfonylamino]benzoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C18H21NO4S/c1-12-9-10-13(18(2,3)4)11-16(12)24(22,23)19-15-8-6-5-7-14(15)17(20)21/h5-11,19H,1-4H3,(H,20,21) |
| InChIKey | InChI | 1.03 | FUWMRGQUYIVRDW-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cc1ccc(cc1[S](=O)(=O)Nc2ccccc2C(O)=O)C(C)(C)C |
| SMILES | CACTVS | 3.385 | Cc1ccc(cc1[S](=O)(=O)Nc2ccccc2C(O)=O)C(C)(C)C |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1ccc(cc1S(=O)(=O)Nc2ccccc2C(=O)O)C(C)(C)C |
| SMILES | OpenEye OEToolkits | 2.0.7 | Cc1ccc(cc1S(=O)(=O)Nc2ccccc2C(=O)O)C(C)(C)C |
