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

Systemtic Name: [2-(2,4-dimethylphenyl)-5-methyl-4-(phenylsulfonyl)pyrazol-3-yl] butanoate Openeye Name: [4-(benzenesulfonyl)-2-(2,4-dimethylphenyl)-5-methyl-pyrazol-3-yl] butanoate CAS Name: butanoic acid [4-(benzenesulfonyl)-2-(2,4-dimethylphenyl)-5-methyl-3-pyrazolyl] ester IUPAC Name: [4-(benzenesulfonyl)-2-(2,4-dimethylphenyl)-5-methylpyrazol-3-yl] butanoate Traditional Name: butyric acid [4-besyl-2-(2,4-dimethylphenyl)-5-methyl-pyrazol-3-yl] ester Formula: C22H24N2O4S MolecularWeight: 412.50196

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)OC1=C(C(=NN1C2=C(C=C(C=C2)C)C)C)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CCCC(=O)OC1=C(C(=NN1C2=C(C=C(C=C2)C)C)C)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C22H24N2O4S/c1-5-9-20(25)28-22-21(29(26,27)18-10-7-6-8-11-18)17(4)23-24(22)19-13-12-15(2)14-16(19)3/h6-8,10-14H,5,9H2,1-4H3