[5-methyl-2-phenyl-4-(phenylsulfonyl)pyrazol-3-yl] 3-methylbutanoate

Systemtic Name: [5-methyl-2-phenyl-4-(phenylsulfonyl)pyrazol-3-yl] 3-methylbutanoate Openeye Name: [4-(benzenesulfonyl)-5-methyl-2-phenyl-pyrazol-3-yl] 3-methylbutanoate CAS Name: 3-methylbutanoic acid [4-(benzenesulfonyl)-5-methyl-2-phenyl-3-pyrazolyl] ester IUPAC Name: [4-(benzenesulfonyl)-5-methyl-2-phenylpyrazol-3-yl] 3-methylbutanoate Traditional Name: 3-methylbutyric acid (4-besyl-5-methyl-2-phenyl-pyrazol-3-yl) ester Formula: C21H22N2O4S MolecularWeight: 398.47538

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1S(=O)(=O)C2=CC=CC=C2)OC(=O)CC(C)C)C3=CC=CC=C3

Isomeric SMILES

CC1=NN(C(=C1S(=O)(=O)C2=CC=CC=C2)OC(=O)CC(C)C)C3=CC=CC=C3

InChI

InChI=1S/C21H22N2O4S/c1-15(2)14-19(24)27-21-20(28(25,26)18-12-8-5-9-13-18)16(3)22-23(21)17-10-6-4-7-11-17/h4-13,15H,14H2,1-3H3