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

Systemtic Name: [1-methyl-2-oxidanylidene-3-(phenylmethyl)quinolin-4-yl] 4-methylbenzenesulfonate Openeye Name: (3-benzyl-1-methyl-2-oxo-4-quinolyl) 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [1-methyl-2-oxo-3-(phenylmethyl)-4-quinolinyl] ester IUPAC Name: (3-benzyl-1-methyl-2-oxoquinolin-4-yl) 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid (3-benzyl-2-keto-1-methyl-4-quinolyl) ester Formula: C24H21NO4S MolecularWeight: 419.49284

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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)C)CC4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=C(C(=O)N(C3=CC=CC=C32)C)CC4=CC=CC=C4

InChI

InChI=1S/C24H21NO4S/c1-17-12-14-19(15-13-17)30(27,28)29-23-20-10-6-7-11-22(20)25(2)24(26)21(23)16-18-8-4-3-5-9-18/h3-15H,16H2,1-2H3