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

Systemtic Name: [2-oxidanylidene-1-phenyl-3-(phenylmethyl)quinolin-4-yl] 4-methylbenzenesulfonate Openeye Name: (3-benzyl-2-oxo-1-phenyl-4-quinolyl) 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [2-oxo-1-phenyl-3-(phenylmethyl)-4-quinolinyl] ester IUPAC Name: (3-benzyl-2-oxo-1-phenylquinolin-4-yl) 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid (3-benzyl-2-keto-1-phenyl-4-quinolyl) ester Formula: C29H23NO4S MolecularWeight: 481.56222

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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)CC5=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)CC5=CC=CC=C5

InChI

InChI=1S/C29H23NO4S/c1-21-16-18-24(19-17-21)35(32,33)34-28-25-14-8-9-15-27(25)30(23-12-6-3-7-13-23)29(31)26(28)20-22-10-4-2-5-11-22/h2-19H,20H2,1H3