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

Systemtic Name: [2-oxidanylidene-3-(phenylmethyl)-1H-quinolin-4-yl] 4-methylbenzenesulfonate Openeye Name: (3-benzyl-2-oxo-1H-quinolin-4-yl) 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [2-oxo-3-(phenylmethyl)-1H-quinolin-4-yl] ester IUPAC Name: (3-benzyl-2-oxo-1H-quinolin-4-yl) 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid (3-benzyl-2-keto-1H-quinolin-4-yl) ester Formula: C23H19NO4S MolecularWeight: 405.46626

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2=C(C(=O)NC3=CC=CC=C32)CC4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=C(C(=O)NC3=CC=CC=C32)CC4=CC=CC=C4

InChI

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