(1-methyl-2-oxidanylidene-3-phenyl-quinolin-4-yl) 4-bromanylbenzenesulfonate

Systemtic Name: (1-methyl-2-oxidanylidene-3-phenyl-quinolin-4-yl) 4-bromanylbenzenesulfonate Openeye Name: (1-methyl-2-oxo-3-phenyl-4-quinolyl) 4-bromobenzenesulfonate CAS Name: 4-bromobenzenesulfonic acid (1-methyl-2-oxo-3-phenyl-4-quinolinyl) ester IUPAC Name: (1-methyl-2-oxo-3-phenylquinolin-4-yl) 4-bromobenzenesulfonate Traditional Name: 4-bromobenzenesulfonic acid (2-keto-1-methyl-3-phenyl-4-quinolyl) ester Formula: C22H16BrNO4S MolecularWeight: 470.33574

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2C(=C(C1=O)C3=CC=CC=C3)OS(=O)(=O)C4=CC=C(C=C4)Br

Isomeric SMILES

CN1C2=CC=CC=C2C(=C(C1=O)C3=CC=CC=C3)OS(=O)(=O)C4=CC=C(C=C4)Br

InChI

InChI=1S/C22H16BrNO4S/c1-24-19-10-6-5-9-18(19)21(20(22(24)25)15-7-3-2-4-8-15)28-29(26,27)17-13-11-16(23)12-14-17/h2-14H,1H3