[1-methyl-2-oxidanylidene-3-(phenylmethyl)quinolin-4-yl] benzenesulfonate

Systemtic Name: [1-methyl-2-oxidanylidene-3-(phenylmethyl)quinolin-4-yl] benzenesulfonate Openeye Name: (3-benzyl-1-methyl-2-oxo-4-quinolyl) benzenesulfonate CAS Name: benzenesulfonic acid [1-methyl-2-oxo-3-(phenylmethyl)-4-quinolinyl] ester IUPAC Name: (3-benzyl-1-methyl-2-oxoquinolin-4-yl) benzenesulfonate Traditional Name: benzenesulfonic acid (3-benzyl-2-keto-1-methyl-4-quinolyl) ester Formula: C23H19NO4S MolecularWeight: 405.46626

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2C(=C(C1=O)CC3=CC=CC=C3)OS(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

CN1C2=CC=CC=C2C(=C(C1=O)CC3=CC=CC=C3)OS(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C23H19NO4S/c1-24-21-15-9-8-14-19(21)22(28-29(26,27)18-12-6-3-7-13-18)20(23(24)25)16-17-10-4-2-5-11-17/h2-15H,16H2,1H3