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

Systemtic Name: [2-(4-methylphenyl)-5-propan-2-yl-pyrazol-3-yl] 4-tert-butylbenzenesulfonate Openeye Name: [5-isopropyl-2-(p-tolyl)pyrazol-3-yl] 4-tert-butylbenzenesulfonate CAS Name: 4-tert-butylbenzenesulfonic acid [2-(4-methylphenyl)-5-propan-2-yl-3-pyrazolyl] ester IUPAC Name: [2-(4-methylphenyl)-5-propan-2-ylpyrazol-3-yl] 4-tert-butylbenzenesulfonate Traditional Name: 4-tert-butylbenzenesulfonic acid [5-isopropyl-2-(p-tolyl)pyrazol-3-yl] ester Formula: C23H28N2O3S MolecularWeight: 412.54502

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H28N2O3S/c1-16(2)21-15-22(25(24-21)19-11-7-17(3)8-12-19)28-29(26,27)20-13-9-18(10-14-20)23(4,5)6/h7-16H,1-6H3