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

Systemtic Name: [2-(2-chlorophenyl)-5-phenyl-pyrazol-3-yl] 4-fluoranylbenzenesulfonate Openeye Name: [2-(2-chlorophenyl)-5-phenyl-pyrazol-3-yl] 4-fluorobenzenesulfonate CAS Name: 4-fluorobenzenesulfonic acid [2-(2-chlorophenyl)-5-phenyl-3-pyrazolyl] ester IUPAC Name: [2-(2-chlorophenyl)-5-phenylpyrazol-3-yl] 4-fluorobenzenesulfonate Traditional Name: 4-fluorobenzenesulfonic acid [2-(2-chlorophenyl)-5-phenyl-pyrazol-3-yl] ester Formula: C21H14ClFN2O3S MolecularWeight: 428.863863

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NN(C(=C2)OS(=O)(=O)C3=CC=C(C=C3)F)C4=CC=CC=C4Cl

Isomeric SMILES

C1=CC=C(C=C1)C2=NN(C(=C2)OS(=O)(=O)C3=CC=C(C=C3)F)C4=CC=CC=C4Cl

InChI

InChI=1S/C21H14ClFN2O3S/c22-18-8-4-5-9-20(18)25-21(14-19(24-25)15-6-2-1-3-7-15)28-29(26,27)17-12-10-16(23)11-13-17/h1-14H