2-(7-methoxy-4-methyl-quinolin-2-yl)sulfanyl-1-[4-(phenylsulfonyl)piperazin-1-yl]ethanone

Systemtic Name: 2-(7-methoxy-4-methyl-quinolin-2-yl)sulfanyl-1-[4-(phenylsulfonyl)piperazin-1-yl]ethanone Openeye Name: 1-[4-(benzenesulfonyl)piperazin-1-yl]-2-[(7-methoxy-4-methyl-2-quinolyl)sulfanyl]ethanone CAS Name: 1-[4-(benzenesulfonyl)-1-piperazinyl]-2-[(7-methoxy-4-methyl-2-quinolinyl)thio]ethanone IUPAC Name: 1-[4-(benzenesulfonyl)piperazin-1-yl]-2-(7-methoxy-4-methylquinolin-2-yl)sulfanylethanone Traditional Name: 1-(4-besylpiperazino)-2-[(7-methoxy-4-methyl-2-quinolyl)thio]ethanone Formula: C23H25N3O4S2 MolecularWeight: 471.5923

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC2=C1C=CC(=C2)OC)SCC(=O)N3CCN(CC3)S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

CC1=CC(=NC2=C1C=CC(=C2)OC)SCC(=O)N3CCN(CC3)S(=O)(=O)C4=CC=CC=C4

InChI

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