[1-methyl-3-[(E)-C-methyl-N-phenylazanyl-carbonimidoyl]-2-oxidanylidene-quinolin-4-yl] 4-methylbenzenesulfonate

Systemtic Name: [1-methyl-3-[(E)-C-methyl-N-phenylazanyl-carbonimidoyl]-2-oxidanylidene-quinolin-4-yl] 4-methylbenzenesulfonate Openeye Name: [3-[(E)-N-anilino-C-methyl-carbonimidoyl]-1-methyl-2-oxo-4-quinolyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [1-methyl-2-oxo-3-[(1E)-1-(phenylhydrazinylidene)ethyl]-4-quinolinyl] ester IUPAC Name: [3-[(E)-N-anilino-C-methylcarbonimidoyl]-1-methyl-2-oxoquinolin-4-yl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [3-[(E)-N-anilino-C-methyl-carbonimidoyl]-2-keto-1-methyl-4-quinolyl] ester Formula: C25H23N3O4S MolecularWeight: 461.53282

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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)C(=NNC4=CC=CC=C4)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=C(C(=O)N(C3=CC=CC=C32)C)/C(=N/NC4=CC=CC=C4)/C

InChI

InChI=1S/C25H23N3O4S/c1-17-13-15-20(16-14-17)33(30,31)32-24-21-11-7-8-12-22(21)28(3)25(29)23(24)18(2)26-27-19-9-5-4-6-10-19/h4-16,27H,1-3H3/b26-18+