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

Systemtic Name: [3-[(E)-C-methyl-N-phenylazanyl-carbonimidoyl]-2-oxidanylidene-1-phenyl-quinolin-4-yl] 4-methylbenzenesulfonate Openeye Name: [3-[(E)-N-anilino-C-methyl-carbonimidoyl]-2-oxo-1-phenyl-4-quinolyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [2-oxo-1-phenyl-3-[(1E)-1-(phenylhydrazinylidene)ethyl]-4-quinolinyl] ester IUPAC Name: [3-[(E)-N-anilino-C-methylcarbonimidoyl]-2-oxo-1-phenylquinolin-4-yl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [3-[(E)-N-anilino-C-methyl-carbonimidoyl]-2-keto-1-phenyl-4-quinolyl] ester Formula: C30H25N3O4S MolecularWeight: 523.6022

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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)C4=CC=CC=C4)C(=NNC5=CC=CC=C5)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=C(C(=O)N(C3=CC=CC=C32)C4=CC=CC=C4)/C(=N/NC5=CC=CC=C5)/C

InChI

InChI=1S/C30H25N3O4S/c1-21-17-19-25(20-18-21)38(35,36)37-29-26-15-9-10-16-27(26)33(24-13-7-4-8-14-24)30(34)28(29)22(2)31-32-23-11-5-3-6-12-23/h3-20,32H,1-2H3/b31-22+