H5X
Summary
| Name: | 3-[[5-(cyclopenten-1-yl)-2-methoxycarbonyl-phenyl]sulfamoyl]benzenesulfonic acid |
| Formula: | C19 H19 N O7 S2 |
| Formal charge: | 0 |
| Formula weight: | 437.487 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 3-[[5-(cyclopenten-1-yl)-2-methoxycarbonyl-phenyl]sulfamoyl]benzenesulfonic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C19H19NO7S2/c1-27-19(21)17-10-9-14(13-5-2-3-6-13)11-18(17)20-28(22,23)15-7-4-8-16(12-15)29(24,25)26/h4-5,7-12,20H,2-3,6H2,1H3,(H,24,25,26) |
| InChIKey | InChI | 1.03 | XFEVBBHNMZRLKU-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COC(=O)c1ccc(cc1N[S](=O)(=O)c2cccc(c2)[S](O)(=O)=O)C3=CCCC3 |
| SMILES | CACTVS | 3.385 | COC(=O)c1ccc(cc1N[S](=O)(=O)c2cccc(c2)[S](O)(=O)=O)C3=CCCC3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | COC(=O)c1ccc(cc1NS(=O)(=O)c2cccc(c2)S(=O)(=O)O)C3=CCCC3 |
| SMILES | OpenEye OEToolkits | 2.0.7 | COC(=O)c1ccc(cc1NS(=O)(=O)c2cccc(c2)S(=O)(=O)O)C3=CCCC3 |
