IW7
Summary
| Name: | 2-(PENTYLSULFAMOYL)-4-SULFAMOYLBENZOIC ACID |
| Formula: | C12 H18 N2 O6 S2 |
| Formal charge: | 0 |
| Formula weight: | 350.411 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 1.7.6 | 2-(pentylsulfamoyl)-4-sulfamoyl-benzoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C12H18N2O6S2/c1-2-3-4-7-14-22(19,20)11-8-9(21(13,17)18)5-6-10(11)12(15)16/h5-6,8,14H,2-4,7H2,1H3,(H,15,16)(H2,13,17,18) |
| InChIKey | InChI | 1.03 | AEZMRAYAYORFQC-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCCCCN[S](=O)(=O)c1cc(ccc1C(O)=O)[S](N)(=O)=O |
| SMILES | CACTVS | 3.385 | CCCCCN[S](=O)(=O)c1cc(ccc1C(O)=O)[S](N)(=O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | CCCCCNS(=O)(=O)c1cc(ccc1C(=O)O)S(=O)(=O)N |
| SMILES | OpenEye OEToolkits | 1.7.6 | CCCCCNS(=O)(=O)c1cc(ccc1C(=O)O)S(=O)(=O)N |
