2-(4-methylsulfonylphenyl)-2-(4-phenylpyrazol-1-yl)ethanoic acid

Systemtic Name: 2-(4-methylsulfonylphenyl)-2-(4-phenylpyrazol-1-yl)ethanoic acid Openeye Name: 2-(4-methylsulfonylphenyl)-2-(4-phenylpyrazol-1-yl)acetic acid CAS Name: 2-(4-methylsulfonylphenyl)-2-(4-phenyl-1-pyrazolyl)acetic acid IUPAC Name: 2-(4-methylsulfonylphenyl)-2-(4-phenylpyrazol-1-yl)acetic acid Traditional Name: 2-(4-mesylphenyl)-2-(4-phenylpyrazol-1-yl)acetic acid Formula: C18H16N2O4S MolecularWeight: 356.39564

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H16N2O4S/c1-25(23,24)16-9-7-14(8-10-16)17(18(21)22)20-12-15(11-19-20)13-5-3-2-4-6-13/h2-12,17H,1H3,(H,21,22)