H6I
Summary
| Name: | 4-(cyclopenten-1-yl)-2-[(3-sulfophenyl)sulfonylamino]benzoic acid |
| Formula: | C18 H17 N O7 S2 |
| Formal charge: | 0 |
| Formula weight: | 423.46 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 4-(cyclopenten-1-yl)-2-[(3-sulfophenyl)sulfonylamino]benzoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C18H17NO7S2/c20-18(21)16-9-8-13(12-4-1-2-5-12)10-17(16)19-27(22,23)14-6-3-7-15(11-14)28(24,25)26/h3-4,6-11,19H,1-2,5H2,(H,20,21)(H,24,25,26) |
| InChIKey | InChI | 1.03 | RWEPOFSCKPELAA-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)c1ccc(cc1N[S](=O)(=O)c2cccc(c2)[S](O)(=O)=O)C3=CCCC3 |
| SMILES | CACTVS | 3.385 | OC(=O)c1ccc(cc1N[S](=O)(=O)c2cccc(c2)[S](O)(=O)=O)C3=CCCC3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc(cc(c1)S(=O)(=O)O)S(=O)(=O)Nc2cc(ccc2C(=O)O)C3=CCCC3 |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(cc(c1)S(=O)(=O)O)S(=O)(=O)Nc2cc(ccc2C(=O)O)C3=CCCC3 |
