[2-oxidanylidene-1-phenyl-3-(phenylcarbonyl)quinolin-4-yl] 4-methylbenzenesulfonate

Systemtic Name: [2-oxidanylidene-1-phenyl-3-(phenylcarbonyl)quinolin-4-yl] 4-methylbenzenesulfonate Openeye Name: (3-benzoyl-2-oxo-1-phenyl-4-quinolyl) 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid (3-benzoyl-2-oxo-1-phenyl-4-quinolinyl) ester IUPAC Name: (3-benzoyl-2-oxo-1-phenylquinolin-4-yl) 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid (3-benzoyl-2-keto-1-phenyl-4-quinolyl) ester Formula: C29H21NO5S MolecularWeight: 495.54574

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2=C(C(=O)N(C3=CC=CC=C32)C4=CC=CC=C4)C(=O)C5=CC=CC=C5

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=C(C(=O)N(C3=CC=CC=C32)C4=CC=CC=C4)C(=O)C5=CC=CC=C5

InChI

InChI=1S/C29H21NO5S/c1-20-16-18-23(19-17-20)36(33,34)35-28-24-14-8-9-15-25(24)30(22-12-6-3-7-13-22)29(32)26(28)27(31)21-10-4-2-5-11-21/h2-19H,1H3