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

Systemtic Name: 4-(4-chlorophenyl)-3-[1-(4-methylsulfonylphenyl)pyrazol-3-yl]benzoic acid Openeye Name: 4-(4-chlorophenyl)-3-[1-(4-methylsulfonylphenyl)pyrazol-3-yl]benzoic acid CAS Name: 4-(4-chlorophenyl)-3-[1-(4-methylsulfonylphenyl)-3-pyrazolyl]benzoic acid IUPAC Name: 4-(4-chlorophenyl)-3-[1-(4-methylsulfonylphenyl)pyrazol-3-yl]benzoic acid Traditional Name: 4-(4-chlorophenyl)-3-[1-(4-mesylphenyl)pyrazol-3-yl]benzoic acid Formula: C23H17ClN2O4S MolecularWeight: 452.91008

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)N2C=CC(=N2)C3=C(C=CC(=C3)C(=O)O)C4=CC=C(C=C4)Cl

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)N2C=CC(=N2)C3=C(C=CC(=C3)C(=O)O)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C23H17ClN2O4S/c1-31(29,30)19-9-7-18(8-10-19)26-13-12-22(25-26)21-14-16(23(27)28)4-11-20(21)15-2-5-17(24)6-3-15/h2-14H,1H3,(H,27,28)