(5-ethanoyl-2,3-dimethyl-6-oxidanylidene-1-phenyl-pyridin-4-yl) 4-methylbenzenesulfonate

Systemtic Name: (5-ethanoyl-2,3-dimethyl-6-oxidanylidene-1-phenyl-pyridin-4-yl) 4-methylbenzenesulfonate Openeye Name: (5-acetyl-2,3-dimethyl-6-oxo-1-phenyl-4-pyridyl) 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid (5-acetyl-2,3-dimethyl-6-oxo-1-phenyl-4-pyridinyl) ester IUPAC Name: (5-acetyl-2,3-dimethyl-6-oxo-1-phenylpyridin-4-yl) 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid (3-acetyl-2-keto-5,6-dimethyl-1-phenyl-4-pyridyl) ester Formula: C22H21NO5S MolecularWeight: 411.47084

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2=C(C(=O)N(C(=C2C)C)C3=CC=CC=C3)C(=O)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=C(C(=O)N(C(=C2C)C)C3=CC=CC=C3)C(=O)C

InChI

InChI=1S/C22H21NO5S/c1-14-10-12-19(13-11-14)29(26,27)28-21-15(2)16(3)23(18-8-6-5-7-9-18)22(25)20(21)17(4)24/h5-13H,1-4H3