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

Systemtic Name: (3E)-7-methoxy-1-(4-methylphenyl)sulfonyl-3-[(4-phenylpiperazin-1-yl)methylidene]-2H-quinolin-4-one Openeye Name: (3E)-7-methoxy-3-[(4-phenylpiperazin-1-yl)methylene]-1-(p-tolylsulfonyl)-2H-quinolin-4-one CAS Name: (3E)-7-methoxy-1-(4-methylphenyl)sulfonyl-3-[(4-phenyl-1-piperazinyl)methylidene]-2H-quinolin-4-one IUPAC Name: (3E)-7-methoxy-1-(4-methylphenyl)sulfonyl-3-[(4-phenylpiperazin-1-yl)methylidene]-2H-quinolin-4-one Traditional Name: (3E)-7-methoxy-3-[(4-phenylpiperazino)methylene]-1-tosyl-2H-quinolin-4-one Formula: C28H29N3O4S MolecularWeight: 503.61256

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CC(=CN3CCN(CC3)C4=CC=CC=C4)C(=O)C5=C2C=C(C=C5)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2C/C(=C\N3CCN(CC3)C4=CC=CC=C4)/C(=O)C5=C2C=C(C=C5)OC

InChI

InChI=1S/C28H29N3O4S/c1-21-8-11-25(12-9-21)36(33,34)31-20-22(28(32)26-13-10-24(35-2)18-27(26)31)19-29-14-16-30(17-15-29)23-6-4-3-5-7-23/h3-13,18-19H,14-17,20H2,1-2H3/b22-19+