QH5
Summary
| Name: | ~{N}-[3-[5-cyclopropyl-4-(2~{H}-1,2,3,4-tetrazol-5-yl)pyrazol-1-yl]phenyl]benzenesulfonamide |
| Formula: | C19 H17 N7 O2 S |
| Formal charge: | 0 |
| Formula weight: | 407.449 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | ~{N}-[3-[5-cyclopropyl-4-(2~{H}-1,2,3,4-tetrazol-5-yl)pyrazol-1-yl]phenyl]benzenesulfonamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C19H17N7O2S/c27-29(28,16-7-2-1-3-8-16)23-14-5-4-6-15(11-14)26-18(13-9-10-13)17(12-20-26)19-21-24-25-22-19/h1-8,11-13,23H,9-10H2,(H,21,22,24,25) |
| InChIKey | InChI | 1.03 | BUPUHVMYXRJEIS-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | O=[S](=O)(Nc1cccc(c1)n2ncc(c3n[nH]nn3)c2C4CC4)c5ccccc5 |
| SMILES | CACTVS | 3.385 | O=[S](=O)(Nc1cccc(c1)n2ncc(c3n[nH]nn3)c2C4CC4)c5ccccc5 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)S(=O)(=O)Nc2cccc(c2)n3c(c(cn3)c4n[nH]nn4)C5CC5 |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)S(=O)(=O)Nc2cccc(c2)n3c(c(cn3)c4n[nH]nn4)C5CC5 |
