8GH
Summary
| Name: | 4-[4-(pyrazol-1-ylmethyl)phenyl]benzenesulfonamide |
| Formula: | C16 H15 N3 O2 S |
| Formal charge: | 0 |
| Formula weight: | 313.374 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | 4-[4-(pyrazol-1-ylmethyl)phenyl]benzenesulfonamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C16H15N3O2S/c17-22(20,21)16-8-6-15(7-9-16)14-4-2-13(3-5-14)12-19-11-1-10-18-19/h1-11H,12H2,(H2,17,20,21) |
| InChIKey | InChI | 1.03 | ISHVKZQPCLEIEP-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | N[S](=O)(=O)c1ccc(cc1)c2ccc(Cn3cccn3)cc2 |
| SMILES | CACTVS | 3.385 | N[S](=O)(=O)c1ccc(cc1)c2ccc(Cn3cccn3)cc2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | c1cnn(c1)Cc2ccc(cc2)c3ccc(cc3)S(=O)(=O)N |
| SMILES | OpenEye OEToolkits | 2.0.6 | c1cnn(c1)Cc2ccc(cc2)c3ccc(cc3)S(=O)(=O)N |
