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

Systemtic Name: [2-oxidanylidene-1-phenyl-3-(phenylsulfinyl)quinolin-4-yl] 4-methylbenzenesulfonate Openeye Name: [3-(benzenesulfinyl)-2-oxo-1-phenyl-4-quinolyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [3-(benzenesulfinyl)-2-oxo-1-phenyl-4-quinolinyl] ester IUPAC Name: [3-(benzenesulfinyl)-2-oxo-1-phenylquinolin-4-yl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [3-(benzenesulfinyl)-2-keto-1-phenyl-4-quinolyl] ester Formula: C28H21NO5S2 MolecularWeight: 515.60004

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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)S(=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)S(=O)C5=CC=CC=C5

InChI

InChI=1S/C28H21NO5S2/c1-20-16-18-23(19-17-20)36(32,33)34-26-24-14-8-9-15-25(24)29(21-10-4-2-5-11-21)28(30)27(26)35(31)22-12-6-3-7-13-22/h2-19H,1H3