A1L50
Summary
| Name: | 7-[(4-benzamidophenyl)carbonylamino]-4-oxidanyl-naphthalene-2-sulfonic acid |
| Synonyms: | NSC-37215 |
| Formula: | C24 H18 N2 O6 S |
| Formal charge: | 0 |
| Formula weight: | 462.475 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 7-[(4-benzamidophenyl)carbonylamino]-4-oxidanyl-naphthalene-2-sulfonic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C24H18N2O6S/c27-22-14-20(33(30,31)32)13-17-12-19(10-11-21(17)22)26-24(29)16-6-8-18(9-7-16)25-23(28)15-4-2-1-3-5-15/h1-14,27H,(H,25,28)(H,26,29)(H,30,31,32) |
| InChIKey | InChI | 1.06 | JWCMUESZVPLKEQ-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Oc1cc(cc2cc(NC(=O)c3ccc(NC(=O)c4ccccc4)cc3)ccc12)[S](O)(=O)=O |
| SMILES | CACTVS | 3.385 | Oc1cc(cc2cc(NC(=O)c3ccc(NC(=O)c4ccccc4)cc3)ccc12)[S](O)(=O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)C(=O)Nc2ccc(cc2)C(=O)Nc3ccc4c(c3)cc(cc4O)S(=O)(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)C(=O)Nc2ccc(cc2)C(=O)Nc3ccc4c(c3)cc(cc4O)S(=O)(=O)O |
