(phenylmethyl) 2-methyl-4-(4-methylsulfonylphenyl)-5-pyridin-4-yl-pyrazole-3-carboxylate

Systemtic Name: (phenylmethyl) 2-methyl-4-(4-methylsulfonylphenyl)-5-pyridin-4-yl-pyrazole-3-carboxylate Openeye Name: benzyl 2-methyl-4-(4-methylsulfonylphenyl)-5-(4-pyridyl)pyrazole-3-carboxylate CAS Name: 2-methyl-4-(4-methylsulfonylphenyl)-5-pyridin-4-yl-3-pyrazolecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 2-methyl-4-(4-methylsulfonylphenyl)-5-pyridin-4-ylpyrazole-3-carboxylate Traditional Name: 4-(4-mesylphenyl)-2-methyl-5-(4-pyridyl)pyrazole-3-carboxylic acid benzyl ester Formula: C24H21N3O4S MolecularWeight: 447.50624

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C(C(=N1)C2=CC=NC=C2)C3=CC=C(C=C3)S(=O)(=O)C)C(=O)OCC4=CC=CC=C4

Isomeric SMILES

CN1C(=C(C(=N1)C2=CC=NC=C2)C3=CC=C(C=C3)S(=O)(=O)C)C(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C24H21N3O4S/c1-27-23(24(28)31-16-17-6-4-3-5-7-17)21(22(26-27)19-12-14-25-15-13-19)18-8-10-20(11-9-18)32(2,29)30/h3-15H,16H2,1-2H3