2-(7-methoxy-4-phenyl-quinolin-2-yl)sulfanyl-1-(4-methylsulfonylpiperazin-1-yl)ethanone

Systemtic Name: 2-(7-methoxy-4-phenyl-quinolin-2-yl)sulfanyl-1-(4-methylsulfonylpiperazin-1-yl)ethanone Openeye Name: 2-[(7-methoxy-4-phenyl-2-quinolyl)sulfanyl]-1-(4-methylsulfonylpiperazin-1-yl)ethanone CAS Name: 2-[(7-methoxy-4-phenyl-2-quinolinyl)thio]-1-(4-methylsulfonyl-1-piperazinyl)ethanone IUPAC Name: 2-(7-methoxy-4-phenylquinolin-2-yl)sulfanyl-1-(4-methylsulfonylpiperazin-1-yl)ethanone Traditional Name: 1-(4-mesylpiperazino)-2-[(7-methoxy-4-phenyl-2-quinolyl)thio]ethanone Formula: C23H25N3O4S2 MolecularWeight: 471.5923

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C(=CC(=N2)SCC(=O)N3CCN(CC3)S(=O)(=O)C)C4=CC=CC=C4

Isomeric SMILES

COC1=CC2=C(C=C1)C(=CC(=N2)SCC(=O)N3CCN(CC3)S(=O)(=O)C)C4=CC=CC=C4

InChI

InChI=1S/C23H25N3O4S2/c1-30-18-8-9-19-20(17-6-4-3-5-7-17)15-22(24-21(19)14-18)31-16-23(27)25-10-12-26(13-11-25)32(2,28)29/h3-9,14-15H,10-13,16H2,1-2H3