[6-methyl-3-(phenylcarbonyl)pyridin-2-yl] 4-methylbenzenesulfonate

Systemtic Name: [6-methyl-3-(phenylcarbonyl)pyridin-2-yl] 4-methylbenzenesulfonate Openeye Name: (3-benzoyl-6-methyl-2-pyridyl) 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid (3-benzoyl-6-methyl-2-pyridinyl) ester IUPAC Name: (3-benzoyl-6-methylpyridin-2-yl) 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid (3-benzoyl-6-methyl-2-pyridyl) ester Formula: C20H17NO4S MolecularWeight: 367.41828

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2=C(C=CC(=N2)C)C(=O)C3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=C(C=CC(=N2)C)C(=O)C3=CC=CC=C3

InChI

InChI=1S/C20H17NO4S/c1-14-8-11-17(12-9-14)26(23,24)25-20-18(13-10-15(2)21-20)19(22)16-6-4-3-5-7-16/h3-13H,1-2H3