[5-tert-butyl-2-(2,4-dimethylphenyl)pyrazol-3-yl] benzenesulfonate

Systemtic Name: [5-tert-butyl-2-(2,4-dimethylphenyl)pyrazol-3-yl] benzenesulfonate Openeye Name: [5-tert-butyl-2-(2,4-dimethylphenyl)pyrazol-3-yl] benzenesulfonate CAS Name: benzenesulfonic acid [5-tert-butyl-2-(2,4-dimethylphenyl)-3-pyrazolyl] ester IUPAC Name: [5-tert-butyl-2-(2,4-dimethylphenyl)pyrazol-3-yl] benzenesulfonate Traditional Name: benzenesulfonic acid [5-tert-butyl-2-(2,4-dimethylphenyl)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(C)(C)C)OS(=O)(=O)C3=CC=CC=C3)C

Isomeric SMILES

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

InChI

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