[5-methyl-2-(4-methylphenyl)pyrazol-3-yl] 4-tert-butylbenzenesulfonate

Systemtic Name: [5-methyl-2-(4-methylphenyl)pyrazol-3-yl] 4-tert-butylbenzenesulfonate Openeye Name: [5-methyl-2-(p-tolyl)pyrazol-3-yl] 4-tert-butylbenzenesulfonate CAS Name: 4-tert-butylbenzenesulfonic acid [5-methyl-2-(4-methylphenyl)-3-pyrazolyl] ester IUPAC Name: [5-methyl-2-(4-methylphenyl)pyrazol-3-yl] 4-tert-butylbenzenesulfonate Traditional Name: 4-tert-butylbenzenesulfonic acid [5-methyl-2-(p-tolyl)pyrazol-3-yl] ester Formula: C21H24N2O3S MolecularWeight: 384.49186

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=CC(=N2)C)OS(=O)(=O)C3=CC=C(C=C3)C(C)(C)C

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=CC(=N2)C)OS(=O)(=O)C3=CC=C(C=C3)C(C)(C)C

InChI

InChI=1S/C21H24N2O3S/c1-15-6-10-18(11-7-15)23-20(14-16(2)22-23)26-27(24,25)19-12-8-17(9-13-19)21(3,4)5/h6-14H,1-5H3