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

Systemtic Name: [5-tert-butyl-2-(4-methylphenyl)pyrazol-3-yl] 4-tert-butylbenzenesulfonate Openeye Name: [5-tert-butyl-2-(p-tolyl)pyrazol-3-yl] 4-tert-butylbenzenesulfonate CAS Name: 4-tert-butylbenzenesulfonic acid [5-tert-butyl-2-(4-methylphenyl)-3-pyrazolyl] ester IUPAC Name: [5-tert-butyl-2-(4-methylphenyl)pyrazol-3-yl] 4-tert-butylbenzenesulfonate Traditional Name: 4-tert-butylbenzenesulfonic acid [5-tert-butyl-2-(p-tolyl)pyrazol-3-yl] ester Formula: C24H30N2O3S MolecularWeight: 426.5716

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C24H30N2O3S/c1-17-8-12-19(13-9-17)26-22(16-21(25-26)24(5,6)7)29-30(27,28)20-14-10-18(11-15-20)23(2,3)4/h8-16H,1-7H3