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

Systemtic Name: [2-(4-chlorophenyl)-5-phenyl-pyrazol-3-yl] 4-methoxybenzenesulfonate Openeye Name: [2-(4-chlorophenyl)-5-phenyl-pyrazol-3-yl] 4-methoxybenzenesulfonate CAS Name: 4-methoxybenzenesulfonic acid [2-(4-chlorophenyl)-5-phenyl-3-pyrazolyl] ester IUPAC Name: [2-(4-chlorophenyl)-5-phenylpyrazol-3-yl] 4-methoxybenzenesulfonate Traditional Name: 4-methoxybenzenesulfonic acid [2-(4-chlorophenyl)-5-phenyl-pyrazol-3-yl] ester Formula: C22H17ClN2O4S MolecularWeight: 440.89938

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)OC2=CC(=NN2C3=CC=C(C=C3)Cl)C4=CC=CC=C4

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)OC2=CC(=NN2C3=CC=C(C=C3)Cl)C4=CC=CC=C4

InChI

InChI=1S/C22H17ClN2O4S/c1-28-19-11-13-20(14-12-19)30(26,27)29-22-15-21(16-5-3-2-4-6-16)24-25(22)18-9-7-17(23)8-10-18/h2-15H,1H3