4-(4-chlorophenyl)-5-(4-methylsulfonylphenyl)-2-(phenylmethyl)pyrazole-3-carboxylic acid

Systemtic Name: 4-(4-chlorophenyl)-5-(4-methylsulfonylphenyl)-2-(phenylmethyl)pyrazole-3-carboxylic acid Openeye Name: 2-benzyl-4-(4-chlorophenyl)-5-(4-methylsulfonylphenyl)pyrazole-3-carboxylic acid CAS Name: 4-(4-chlorophenyl)-5-(4-methylsulfonylphenyl)-2-(phenylmethyl)-3-pyrazolecarboxylic acid IUPAC Name: 2-benzyl-4-(4-chlorophenyl)-5-(4-methylsulfonylphenyl)pyrazole-3-carboxylic acid Traditional Name: 2-benzyl-4-(4-chlorophenyl)-5-(4-mesylphenyl)pyrazole-3-carboxylic acid Formula: C24H19ClN2O4S MolecularWeight: 466.93666

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)C2=NN(C(=C2C3=CC=C(C=C3)Cl)C(=O)O)CC4=CC=CC=C4

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)C2=NN(C(=C2C3=CC=C(C=C3)Cl)C(=O)O)CC4=CC=CC=C4

InChI

InChI=1S/C24H19ClN2O4S/c1-32(30,31)20-13-9-18(10-14-20)22-21(17-7-11-19(25)12-8-17)23(24(28)29)27(26-22)15-16-5-3-2-4-6-16/h2-14H,15H2,1H3,(H,28,29)