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

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

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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=C4)Cl

Isomeric SMILES

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

InChI

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