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

Systemtic Name: [2-(2-chlorophenyl)-5-phenyl-pyrazol-3-yl] 4-bromanylbenzenesulfonate Openeye Name: [2-(2-chlorophenyl)-5-phenyl-pyrazol-3-yl] 4-bromobenzenesulfonate CAS Name: 4-bromobenzenesulfonic acid [2-(2-chlorophenyl)-5-phenyl-3-pyrazolyl] ester IUPAC Name: [2-(2-chlorophenyl)-5-phenylpyrazol-3-yl] 4-bromobenzenesulfonate Traditional Name: 4-bromobenzenesulfonic acid [2-(2-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=CC=C4Cl

Isomeric SMILES

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

InChI

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