[2-tert-butyl-5-methyl-4-(4-methylphenyl)sulfonyl-pyrazol-3-yl] 3-methylbutanoate

Systemtic Name: [2-tert-butyl-5-methyl-4-(4-methylphenyl)sulfonyl-pyrazol-3-yl] 3-methylbutanoate Openeye Name: [2-tert-butyl-5-methyl-4-(p-tolylsulfonyl)pyrazol-3-yl] 3-methylbutanoate CAS Name: 3-methylbutanoic acid [2-tert-butyl-5-methyl-4-(4-methylphenyl)sulfonyl-3-pyrazolyl] ester IUPAC Name: [2-tert-butyl-5-methyl-4-(4-methylphenyl)sulfonylpyrazol-3-yl] 3-methylbutanoate Traditional Name: 3-methylbutyric acid (2-tert-butyl-5-methyl-4-tosyl-pyrazol-3-yl) ester Formula: C20H28N2O4S MolecularWeight: 392.51232

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)C2=C(N(N=C2C)C(C)(C)C)OC(=O)CC(C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)C2=C(N(N=C2C)C(C)(C)C)OC(=O)CC(C)C

InChI

InChI=1S/C20H28N2O4S/c1-13(2)12-17(23)26-19-18(15(4)21-22(19)20(5,6)7)27(24,25)16-10-8-14(3)9-11-16/h8-11,13H,12H2,1-7H3