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Summary
| Name: | (2M)-4'-(piperidin-4-yl)-2-(1H-tetrazol-5-yl)-4-(trifluoromethyl)[1,1'-biphenyl]-3-sulfonamide |
| Formula: | C19 H19 F3 N6 O2 S |
| Formal charge: | 0 |
| Formula weight: | 452.453 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (2M)-4'-(piperidin-4-yl)-2-(1H-tetrazol-5-yl)-4-(trifluoromethyl)[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)-6-(trifluoromethyl)benzenesulfonamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | FC(F)(F)c1ccc(c(c1S(N)(=O)=O)c1nnn[NH]1)c1ccc(cc1)C1CCNCC1 |
| InChI | InChI | 1.03 | InChI=1S/C19H19F3N6O2S/c20-19(21,22)15-6-5-14(16(17(15)31(23,29)30)18-25-27-28-26-18)13-3-1-11(2-4-13)12-7-9-24-10-8-12/h1-6,12,24H,7-10H2,(H2,23,29,30)(H,25,26,27,28) |
| InChIKey | InChI | 1.03 | IVCVEUVKOPZGEI-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | N[S](=O)(=O)c1c(ccc(c2ccc(cc2)C3CCNCC3)c1c4[nH]nnn4)C(F)(F)F |
| SMILES | CACTVS | 3.385 | N[S](=O)(=O)c1c(ccc(c2ccc(cc2)C3CCNCC3)c1c4[nH]nnn4)C(F)(F)F |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc(ccc1c2ccc(c(c2c3[nH]nnn3)S(=O)(=O)N)C(F)(F)F)C4CCNCC4 |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(ccc1c2ccc(c(c2c3[nH]nnn3)S(=O)(=O)N)C(F)(F)F)C4CCNCC4 |
