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

Systemtic Name: [2-(4-chlorophenyl)-5-phenyl-pyrazol-3-yl] 4-chloranylbenzenesulfonate Openeye Name: [2-(4-chlorophenyl)-5-phenyl-pyrazol-3-yl] 4-chlorobenzenesulfonate CAS Name: 4-chlorobenzenesulfonic acid [2-(4-chlorophenyl)-5-phenyl-3-pyrazolyl] ester IUPAC Name: [2-(4-chlorophenyl)-5-phenylpyrazol-3-yl] 4-chlorobenzenesulfonate Traditional Name: 4-chlorobenzenesulfonic acid [2-(4-chlorophenyl)-5-phenyl-pyrazol-3-yl] ester Formula: C21H14Cl2N2O3S MolecularWeight: 445.31846

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

InChI

InChI=1S/C21H14Cl2N2O3S/c22-16-6-10-18(11-7-16)25-21(14-20(24-25)15-4-2-1-3-5-15)28-29(26,27)19-12-8-17(23)9-13-19/h1-14H