2-[3-(4-methylphenyl)-2-(4-methylsulfonylphenyl)-3,4-dihydropyrazol-5-yl]ethanoic acid

Systemtic Name: 2-[3-(4-methylphenyl)-2-(4-methylsulfonylphenyl)-3,4-dihydropyrazol-5-yl]ethanoic acid Openeye Name: 2-[2-(4-methylsulfonylphenyl)-3-(p-tolyl)-3,4-dihydropyrazol-5-yl]acetic acid CAS Name: 2-[3-(4-methylphenyl)-2-(4-methylsulfonylphenyl)-3,4-dihydropyrazol-5-yl]acetic acid IUPAC Name: 2-[3-(4-methylphenyl)-2-(4-methylsulfonylphenyl)-3,4-dihydropyrazol-5-yl]acetic acid Traditional Name: 2-[1-(4-mesylphenyl)-5-(p-tolyl)-2-pyrazolin-3-yl]acetic acid Formula: C19H20N2O4S MolecularWeight: 372.4381

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2CC(=NN2C3=CC=C(C=C3)S(=O)(=O)C)CC(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)C2CC(=NN2C3=CC=C(C=C3)S(=O)(=O)C)CC(=O)O

InChI

InChI=1S/C19H20N2O4S/c1-13-3-5-14(6-4-13)18-11-15(12-19(22)23)20-21(18)16-7-9-17(10-8-16)26(2,24)25/h3-10,18H,11-12H2,1-2H3,(H,22,23)