4-[5-(4-methylsulfonylphenyl)-1H-pyrazol-4-yl]benzoic acid

Systemtic Name: 4-[5-(4-methylsulfonylphenyl)-1H-pyrazol-4-yl]benzoic acid Openeye Name: 4-[5-(4-methylsulfonylphenyl)-1H-pyrazol-4-yl]benzoic acid CAS Name: 4-[5-(4-methylsulfonylphenyl)-1H-pyrazol-4-yl]benzoic acid IUPAC Name: 4-[5-(4-methylsulfonylphenyl)-1H-pyrazol-4-yl]benzoic acid Traditional Name: 4-[5-(4-mesylphenyl)-1H-pyrazol-4-yl]benzoic acid Formula: C17H14N2O4S MolecularWeight: 342.36906

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)C2=C(C=NN2)C3=CC=C(C=C3)C(=O)O

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)C2=C(C=NN2)C3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C17H14N2O4S/c1-24(22,23)14-8-6-12(7-9-14)16-15(10-18-19-16)11-2-4-13(5-3-11)17(20)21/h2-10H,1H3,(H,18,19)(H,20,21)