A1A4F
Summary
| Name: | N-[3-(cyclohexylmethyl)-1H-pyrazol-5-yl]-2-[(1H-imidazol-1-yl)methyl]benzene-1-sulfonamide |
| Formula: | C20 H25 N5 O2 S |
| Formal charge: | 0 |
| Formula weight: | 399.51 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 14.52 | N-[3-(cyclohexylmethyl)-1H-pyrazol-5-yl]-2-[(1H-imidazol-1-yl)methyl]benzene-1-sulfonamide |
| OpenEye OEToolkits | 2.0.7 | ~{N}-[3-(cyclohexylmethyl)-1~{H}-pyrazol-5-yl]-2-(imidazol-1-ylmethyl)benzenesulfonamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | O=S(=O)(Nc1cc(CC2CCCCC2)n[NH]1)c1ccccc1Cn1ccnc1 |
| InChI | InChI | 1.06 | InChI=1S/C20H25N5O2S/c26-28(27,19-9-5-4-8-17(19)14-25-11-10-21-15-25)24-20-13-18(22-23-20)12-16-6-2-1-3-7-16/h4-5,8-11,13,15-16H,1-3,6-7,12,14H2,(H2,22,23,24) |
| InChIKey | InChI | 1.06 | ZPOQSBRRJBFXEB-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | O=[S](=O)(Nc1[nH]nc(CC2CCCCC2)c1)c3ccccc3Cn4ccnc4 |
| SMILES | CACTVS | 3.385 | O=[S](=O)(Nc1[nH]nc(CC2CCCCC2)c1)c3ccccc3Cn4ccnc4 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccc(c(c1)Cn2ccnc2)S(=O)(=O)Nc3cc(n[nH]3)CC4CCCCC4 |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc(c(c1)Cn2ccnc2)S(=O)(=O)Nc3cc(n[nH]3)CC4CCCCC4 |
