A1JT8
Summary
| Name: | 4-methoxy-~{N}-[(3-thiophen-2-yl-1~{H}-pyrazol-4-yl)methyl]benzenesulfonamide |
| Synonyms: | KNX-115 |
| Formula: | C15 H15 N3 O3 S2 |
| Formal charge: | 0 |
| Formula weight: | 349.428 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 4-methoxy-~{N}-[(3-thiophen-2-yl-1~{H}-pyrazol-4-yl)methyl]benzenesulfonamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C15H15N3O3S2/c1-21-12-4-6-13(7-5-12)23(19,20)17-10-11-9-16-18-15(11)14-3-2-8-22-14/h2-9,17H,10H2,1H3,(H,16,18) |
| InChIKey | InChI | 1.06 | QPSNFLDHTITGFO-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COc1ccc(cc1)[S](=O)(=O)NCc2c[nH]nc2c3sccc3 |
| SMILES | CACTVS | 3.385 | COc1ccc(cc1)[S](=O)(=O)NCc2c[nH]nc2c3sccc3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | COc1ccc(cc1)S(=O)(=O)NCc2c[nH]nc2c3cccs3 |
| SMILES | OpenEye OEToolkits | 2.0.7 | COc1ccc(cc1)S(=O)(=O)NCc2c[nH]nc2c3cccs3 |
