QFW
Summary
| Name: | 4-[(6-propoxynaphthalen-2-yl)sulfonylamino]benzoic acid |
| Synonyms: | 4-{[(6-propoxy-2-naphtyl)sulfonyl]amino}benzoic acid |
| Formula: | C20 H19 N O5 S |
| Formal charge: | 0 |
| Formula weight: | 385.434 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 4-[(6-propoxynaphthalen-2-yl)sulfonylamino]benzoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C20H19NO5S/c1-2-11-26-18-9-5-16-13-19(10-6-15(16)12-18)27(24,25)21-17-7-3-14(4-8-17)20(22)23/h3-10,12-13,21H,2,11H2,1H3,(H,22,23) |
| InChIKey | InChI | 1.06 | CXGJVZAHQVOLAT-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCCOc1ccc2cc(ccc2c1)[S](=O)(=O)Nc3ccc(cc3)C(O)=O |
| SMILES | CACTVS | 3.385 | CCCOc1ccc2cc(ccc2c1)[S](=O)(=O)Nc3ccc(cc3)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CCCOc1ccc2cc(ccc2c1)S(=O)(=O)Nc3ccc(cc3)C(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | CCCOc1ccc2cc(ccc2c1)S(=O)(=O)Nc3ccc(cc3)C(=O)O |
