[2-(2,3-dimethylphenyl)-5-phenyl-pyrazol-3-yl] 4-methoxybenzenesulfonate

Systemtic Name: [2-(2,3-dimethylphenyl)-5-phenyl-pyrazol-3-yl] 4-methoxybenzenesulfonate Openeye Name: [2-(2,3-dimethylphenyl)-5-phenyl-pyrazol-3-yl] 4-methoxybenzenesulfonate CAS Name: 4-methoxybenzenesulfonic acid [2-(2,3-dimethylphenyl)-5-phenyl-3-pyrazolyl] ester IUPAC Name: [2-(2,3-dimethylphenyl)-5-phenylpyrazol-3-yl] 4-methoxybenzenesulfonate Traditional Name: 4-methoxybenzenesulfonic acid [2-(2,3-dimethylphenyl)-5-phenyl-pyrazol-3-yl] ester Formula: C24H22N2O4S MolecularWeight: 434.50748

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H22N2O4S/c1-17-8-7-11-23(18(17)2)26-24(16-22(25-26)19-9-5-4-6-10-19)30-31(27,28)21-14-12-20(29-3)13-15-21/h4-16H,1-3H3