OKC
Summary
| Name: | (2M)-4'-(piperidin-4-yl)-2-(1H-tetrazol-5-yl)[1,1'-biphenyl]-3-sulfonamide |
| Formula: | C18 H20 N6 O2 S |
| Formal charge: | 0 |
| Formula weight: | 384.455 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (2M)-4'-(piperidin-4-yl)-2-(1H-tetrazol-5-yl)[1,1'-biphenyl]-3-sulfonamide |
| OpenEye OEToolkits | 2.0.7 | 3-(4-piperidin-4-ylphenyl)-2-(1~{H}-1,2,3,4-tetrazol-5-yl)benzenesulfonamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | NS(=O)(=O)c1cccc(c1c1nnn[NH]1)c1ccc(cc1)C1CCNCC1 |
| InChI | InChI | 1.03 | InChI=1S/C18H20N6O2S/c19-27(25,26)16-3-1-2-15(17(16)18-21-23-24-22-18)14-6-4-12(5-7-14)13-8-10-20-11-9-13/h1-7,13,20H,8-11H2,(H2,19,25,26)(H,21,22,23,24) |
| InChIKey | InChI | 1.03 | JLWPVVFPXXZFHC-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | N[S](=O)(=O)c1cccc(c2ccc(cc2)C3CCNCC3)c1c4[nH]nnn4 |
| SMILES | CACTVS | 3.385 | N[S](=O)(=O)c1cccc(c2ccc(cc2)C3CCNCC3)c1c4[nH]nnn4 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc(c(c(c1)S(=O)(=O)N)c2[nH]nnn2)c3ccc(cc3)C4CCNCC4 |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(c(c(c1)S(=O)(=O)N)c2[nH]nnn2)c3ccc(cc3)C4CCNCC4 |
