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

Systemtic Name: [2-(3-methylphenyl)-5-phenyl-pyrazol-3-yl] 4-tert-butylbenzenesulfonate Openeye Name: [2-(m-tolyl)-5-phenyl-pyrazol-3-yl] 4-tert-butylbenzenesulfonate CAS Name: 4-tert-butylbenzenesulfonic acid [2-(3-methylphenyl)-5-phenyl-3-pyrazolyl] ester IUPAC Name: [2-(3-methylphenyl)-5-phenylpyrazol-3-yl] 4-tert-butylbenzenesulfonate Traditional Name: 4-tert-butylbenzenesulfonic acid [2-(m-tolyl)-5-phenyl-pyrazol-3-yl] ester Formula: C26H26N2O3S MolecularWeight: 446.56124

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2C(=CC(=N2)C3=CC=CC=C3)OS(=O)(=O)C4=CC=C(C=C4)C(C)(C)C

Isomeric SMILES

CC1=CC(=CC=C1)N2C(=CC(=N2)C3=CC=CC=C3)OS(=O)(=O)C4=CC=C(C=C4)C(C)(C)C

InChI

InChI=1S/C26H26N2O3S/c1-19-9-8-12-22(17-19)28-25(18-24(27-28)20-10-6-5-7-11-20)31-32(29,30)23-15-13-21(14-16-23)26(2,3)4/h5-18H,1-4H3