(3E)-7-methoxy-1-(4-methylphenyl)sulfonyl-3-[(4-methylpiperazin-1-yl)methylidene]-2H-quinolin-4-one

Systemtic Name: (3E)-7-methoxy-1-(4-methylphenyl)sulfonyl-3-[(4-methylpiperazin-1-yl)methylidene]-2H-quinolin-4-one Openeye Name: (3E)-7-methoxy-3-[(4-methylpiperazin-1-yl)methylene]-1-(p-tolylsulfonyl)-2H-quinolin-4-one CAS Name: (3E)-7-methoxy-1-(4-methylphenyl)sulfonyl-3-[(4-methyl-1-piperazinyl)methylidene]-2H-quinolin-4-one IUPAC Name: (3E)-7-methoxy-1-(4-methylphenyl)sulfonyl-3-[(4-methylpiperazin-1-yl)methylidene]-2H-quinolin-4-one Traditional Name: (3E)-7-methoxy-3-[(4-methylpiperazino)methylene]-1-tosyl-2H-quinolin-4-one Formula: C23H27N3O4S MolecularWeight: 441.54318

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CC(=CN3CCN(CC3)C)C(=O)C4=C2C=C(C=C4)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2C/C(=C\N3CCN(CC3)C)/C(=O)C4=C2C=C(C=C4)OC

InChI

InChI=1S/C23H27N3O4S/c1-17-4-7-20(8-5-17)31(28,29)26-16-18(15-25-12-10-24(2)11-13-25)23(27)21-9-6-19(30-3)14-22(21)26/h4-9,14-15H,10-13,16H2,1-3H3/b18-15+