4-[5-(4-chlorophenyl)-1-(4-sulfamoylphenyl)pyrazol-3-yl]benzoic acid

Systemtic Name: 4-[5-(4-chlorophenyl)-1-(4-sulfamoylphenyl)pyrazol-3-yl]benzoic acid Openeye Name: 4-[5-(4-chlorophenyl)-1-(4-sulfamoylphenyl)pyrazol-3-yl]benzoic acid CAS Name: 4-[5-(4-chlorophenyl)-1-(4-sulfamoylphenyl)-3-pyrazolyl]benzoic acid IUPAC Name: 4-[5-(4-chlorophenyl)-1-(4-sulfamoylphenyl)pyrazol-3-yl]benzoic acid Traditional Name: 4-[5-(4-chlorophenyl)-1-(4-sulfamoylphenyl)pyrazol-3-yl]benzoic acid Formula: C22H16ClN3O4S MolecularWeight: 453.89814

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=NN(C(=C2)C3=CC=C(C=C3)Cl)C4=CC=C(C=C4)S(=O)(=O)N)C(=O)O

Isomeric SMILES

C1=CC(=CC=C1C2=NN(C(=C2)C3=CC=C(C=C3)Cl)C4=CC=C(C=C4)S(=O)(=O)N)C(=O)O

InChI

InChI=1S/C22H16ClN3O4S/c23-17-7-5-15(6-8-17)21-13-20(14-1-3-16(4-2-14)22(27)28)25-26(21)18-9-11-19(12-10-18)31(24,29)30/h1-13H,(H,27,28)(H2,24,29,30)