EIQ
Summary
| Name: | ~{N}-[4-(pyridin-4-ylmethyl)phenyl]benzenesulfonamide |
| Formula: | C18 H16 N2 O2 S |
| Formal charge: | 0 |
| Formula weight: | 324.397 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | ~{N}-[4-(pyridin-4-ylmethyl)phenyl]benzenesulfonamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C18H16N2O2S/c21-23(22,18-4-2-1-3-5-18)20-17-8-6-15(7-9-17)14-16-10-12-19-13-11-16/h1-13,20H,14H2 |
| InChIKey | InChI | 1.06 | CFLHYDJOEWYNKS-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | O=[S](=O)(Nc1ccc(Cc2ccncc2)cc1)c3ccccc3 |
| SMILES | CACTVS | 3.385 | O=[S](=O)(Nc1ccc(Cc2ccncc2)cc1)c3ccccc3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)S(=O)(=O)Nc2ccc(cc2)Cc3ccncc3 |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)S(=O)(=O)Nc2ccc(cc2)Cc3ccncc3 |
