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

Systemtic Name: [2-(3,4-dichlorophenyl)-5-phenyl-pyrazol-3-yl] 4-methoxybenzenesulfonate Openeye Name: [2-(3,4-dichlorophenyl)-5-phenyl-pyrazol-3-yl] 4-methoxybenzenesulfonate CAS Name: 4-methoxybenzenesulfonic acid [2-(3,4-dichlorophenyl)-5-phenyl-3-pyrazolyl] ester IUPAC Name: [2-(3,4-dichlorophenyl)-5-phenylpyrazol-3-yl] 4-methoxybenzenesulfonate Traditional Name: 4-methoxybenzenesulfonic acid [2-(3,4-dichlorophenyl)-5-phenyl-pyrazol-3-yl] ester Formula: C22H16Cl2N2O4S MolecularWeight: 475.34444

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H16Cl2N2O4S/c1-29-17-8-10-18(11-9-17)31(27,28)30-22-14-21(15-5-3-2-4-6-15)25-26(22)16-7-12-19(23)20(24)13-16/h2-14H,1H3