[1-(4-chlorophenyl)-3-ethanoyl-2-oxidanylidene-6-phenyl-pyridin-4-yl] 4-methylbenzenesulfonate

Systemtic Name: [1-(4-chlorophenyl)-3-ethanoyl-2-oxidanylidene-6-phenyl-pyridin-4-yl] 4-methylbenzenesulfonate Openeye Name: [3-acetyl-1-(4-chlorophenyl)-2-oxo-6-phenyl-4-pyridyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [3-acetyl-1-(4-chlorophenyl)-2-oxo-6-phenyl-4-pyridinyl] ester IUPAC Name: [3-acetyl-1-(4-chlorophenyl)-2-oxo-6-phenylpyridin-4-yl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [3-acetyl-1-(4-chlorophenyl)-2-keto-6-phenyl-4-pyridyl] ester Formula: C26H20ClNO5S MolecularWeight: 493.9587

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2=C(C(=O)N(C(=C2)C3=CC=CC=C3)C4=CC=C(C=C4)Cl)C(=O)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=C(C(=O)N(C(=C2)C3=CC=CC=C3)C4=CC=C(C=C4)Cl)C(=O)C

InChI

InChI=1S/C26H20ClNO5S/c1-17-8-14-22(15-9-17)34(31,32)33-24-16-23(19-6-4-3-5-7-19)28(26(30)25(24)18(2)29)21-12-10-20(27)11-13-21/h3-16H,1-2H3