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

Systemtic Name: [1-methyl-2-oxidanylidene-3-(phenylsulfinyl)quinolin-4-yl] 4-methylbenzenesulfonate Openeye Name: [3-(benzenesulfinyl)-1-methyl-2-oxo-4-quinolyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [3-(benzenesulfinyl)-1-methyl-2-oxo-4-quinolinyl] ester IUPAC Name: [3-(benzenesulfinyl)-1-methyl-2-oxoquinolin-4-yl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [3-(benzenesulfinyl)-2-keto-1-methyl-4-quinolyl] ester Formula: C23H19NO5S2 MolecularWeight: 453.53066

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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)S(=O)C4=CC=CC=C4

Isomeric SMILES

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

InChI

InChI=1S/C23H19NO5S2/c1-16-12-14-18(15-13-16)31(27,28)29-21-19-10-6-7-11-20(19)24(2)23(25)22(21)30(26)17-8-4-3-5-9-17/h3-15H,1-2H3