PDB CCD ID: | QH5 |
Number of entries in BioLiP: | 1 |
Chemical formula: | C19 H17 N7 O2 S |
InChI: | 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: | BUPUHVMYXRJEIS-UHFFFAOYSA-N |
SMILES: | Software | SMILES |
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OpenEye OEToolkits 2.0.7 | c1ccc(cc1)S(=O)(=O)Nc2cccc(c2)n3c(c(cn3)c4n[nH]nn4)C5CC5 | CACTVS 3.385 | O=[S](=O)(Nc1cccc(c1)n2ncc(c3n[nH]nn3)c2C4CC4)c5ccccc5 |
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Name: | ~{N}-[3-[5-cyclopropyl-4-(2~{H}-1,2,3,4-tetrazol-5-yl)pyrazol-1-yl]phenyl]benzenesulfonamide |
ChEMBL: | CHEMBL4848597 |