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

Systemtic Name: [2-(2,4-dimethylphenyl)-5-methyl-4-(phenylsulfonyl)pyrazol-3-yl] 3-methylbutanoate Openeye Name: [4-(benzenesulfonyl)-2-(2,4-dimethylphenyl)-5-methyl-pyrazol-3-yl] 3-methylbutanoate CAS Name: 3-methylbutanoic acid [4-(benzenesulfonyl)-2-(2,4-dimethylphenyl)-5-methyl-3-pyrazolyl] ester IUPAC Name: [4-(benzenesulfonyl)-2-(2,4-dimethylphenyl)-5-methylpyrazol-3-yl] 3-methylbutanoate Traditional Name: 3-methylbutyric acid [4-besyl-2-(2,4-dimethylphenyl)-5-methyl-pyrazol-3-yl] ester Formula: C23H26N2O4S MolecularWeight: 426.52854

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)N2C(=C(C(=N2)C)S(=O)(=O)C3=CC=CC=C3)OC(=O)CC(C)C)C

Isomeric SMILES

CC1=CC(=C(C=C1)N2C(=C(C(=N2)C)S(=O)(=O)C3=CC=CC=C3)OC(=O)CC(C)C)C

InChI

InChI=1S/C23H26N2O4S/c1-15(2)13-21(26)29-23-22(30(27,28)19-9-7-6-8-10-19)18(5)24-25(23)20-12-11-16(3)14-17(20)4/h6-12,14-15H,13H2,1-5H3