OJR
Summary
| Name: | (2P)-4'-(piperidin-4-yl)-4-[(piperidin-4-yl)methyl]-2-(1H-tetrazol-5-yl)[1,1'-biphenyl]-3-sulfonamide |
| Formula: | C24 H31 N7 O2 S |
| Formal charge: | 0 |
| Formula weight: | 481.614 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (2P)-4'-(piperidin-4-yl)-4-[(piperidin-4-yl)methyl]-2-(1H-tetrazol-5-yl)[1,1'-biphenyl]-3-sulfonamide |
| OpenEye OEToolkits | 2.0.7 | 6-(piperidin-4-ylmethyl)-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)c1c(ccc(c1c1nnn[NH]1)c1ccc(cc1)C1CCNCC1)CC1CCNCC1 |
| InChI | InChI | 1.03 | InChI=1S/C24H31N7O2S/c25-34(32,33)23-20(15-16-7-11-26-12-8-16)5-6-21(22(23)24-28-30-31-29-24)19-3-1-17(2-4-19)18-9-13-27-14-10-18/h1-6,16,18,26-27H,7-15H2,(H2,25,32,33)(H,28,29,30,31) |
| InChIKey | InChI | 1.03 | LHOHTNKBXFSQBC-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | N[S](=O)(=O)c1c(CC2CCNCC2)ccc(c3ccc(cc3)C4CCNCC4)c1c5[nH]nnn5 |
| SMILES | CACTVS | 3.385 | N[S](=O)(=O)c1c(CC2CCNCC2)ccc(c3ccc(cc3)C4CCNCC4)c1c5[nH]nnn5 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc(ccc1c2ccc(c(c2c3[nH]nnn3)S(=O)(=O)N)CC4CCNCC4)C5CCNCC5 |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(ccc1c2ccc(c(c2c3[nH]nnn3)S(=O)(=O)N)CC4CCNCC4)C5CCNCC5 |
