51J
Summary
| Name: | 2-(BUT-2-YN-1-YLSULFAMOYL)-4-SULFAMOYLBENZOIC ACID |
| Formula: | C11 H12 N2 O6 S2 |
| Formal charge: | 0 |
| Formula weight: | 332.353 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 1.7.6 | 2-(but-2-ynylsulfamoyl)-4-sulfamoyl-benzoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C11H12N2O6S2/c1-2-3-6-13-21(18,19)10-7-8(20(12,16)17)4-5-9(10)11(14)15/h4-5,7,13H,6H2,1H3,(H,14,15)(H2,12,16,17) |
| InChIKey | InChI | 1.03 | GHPHHBCAYUNOIJ-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC#CCN[S](=O)(=O)c1cc(ccc1C(O)=O)[S](N)(=O)=O |
| SMILES | CACTVS | 3.385 | CC#CCN[S](=O)(=O)c1cc(ccc1C(O)=O)[S](N)(=O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | CC#CCNS(=O)(=O)c1cc(ccc1C(=O)O)S(=O)(=O)N |
| SMILES | OpenEye OEToolkits | 1.7.6 | CC#CCNS(=O)(=O)c1cc(ccc1C(=O)O)S(=O)(=O)N |
