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

Systemtic Name: [2-(4-chlorophenyl)-5-phenyl-pyrazol-3-yl] 4-bromanylbenzenesulfonate Openeye Name: [2-(4-chlorophenyl)-5-phenyl-pyrazol-3-yl] 4-bromobenzenesulfonate CAS Name: 4-bromobenzenesulfonic acid [2-(4-chlorophenyl)-5-phenyl-3-pyrazolyl] ester IUPAC Name: [2-(4-chlorophenyl)-5-phenylpyrazol-3-yl] 4-bromobenzenesulfonate Traditional Name: 4-bromobenzenesulfonic acid [2-(4-chlorophenyl)-5-phenyl-pyrazol-3-yl] ester Formula: C21H14BrClN2O3S MolecularWeight: 489.76946

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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)Br)C4=CC=C(C=C4)Cl

Isomeric SMILES

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

InChI

InChI=1S/C21H14BrClN2O3S/c22-16-6-12-19(13-7-16)29(26,27)28-21-14-20(15-4-2-1-3-5-15)24-25(21)18-10-8-17(23)9-11-18/h1-14H