dimethyl 3-[4-[[4-(2-methylbutan-2-yl)phenyl]sulfonylamino]pyrazol-1-yl]pentanedioate

Systemtic Name: dimethyl 3-[4-[[4-(2-methylbutan-2-yl)phenyl]sulfonylamino]pyrazol-1-yl]pentanedioate Openeye Name: dimethyl 3-[4-[[4-(1,1-dimethylpropyl)phenyl]sulfonylamino]pyrazol-1-yl]pentanedioate CAS Name: 3-[4-[[4-(2-methylbutan-2-yl)phenyl]sulfonylamino]-1-pyrazolyl]pentanedioic acid dimethyl ester IUPAC Name: dimethyl 3-[4-[[4-(2-methylbutan-2-yl)phenyl]sulfonylamino]pyrazol-1-yl]pentanedioate Traditional Name: 3-[4-[(4-tert-amylphenyl)sulfonylamino]pyrazol-1-yl]glutaric acid dimethyl ester Formula: C21H29N3O6S MolecularWeight: 451.53646

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)C1=CC=C(C=C1)S(=O)(=O)NC2=CN(N=C2)C(CC(=O)OC)CC(=O)OC

Isomeric SMILES

CCC(C)(C)C1=CC=C(C=C1)S(=O)(=O)NC2=CN(N=C2)C(CC(=O)OC)CC(=O)OC

InChI

InChI=1S/C21H29N3O6S/c1-6-21(2,3)15-7-9-18(10-8-15)31(27,28)23-16-13-22-24(14-16)17(11-19(25)29-4)12-20(26)30-5/h7-10,13-14,17,23H,6,11-12H2,1-5H3