2-(4,8-dimethylquinolin-2-yl)sulfanyl-1-[4-(phenylsulfonyl)piperazin-1-yl]ethanone

Systemtic Name: 2-(4,8-dimethylquinolin-2-yl)sulfanyl-1-[4-(phenylsulfonyl)piperazin-1-yl]ethanone Openeye Name: 1-[4-(benzenesulfonyl)piperazin-1-yl]-2-[(4,8-dimethyl-2-quinolyl)sulfanyl]ethanone CAS Name: 1-[4-(benzenesulfonyl)-1-piperazinyl]-2-[(4,8-dimethyl-2-quinolinyl)thio]ethanone IUPAC Name: 1-[4-(benzenesulfonyl)piperazin-1-yl]-2-(4,8-dimethylquinolin-2-yl)sulfanylethanone Traditional Name: 1-(4-besylpiperazino)-2-[(4,8-dimethyl-2-quinolyl)thio]ethanone Formula: C23H25N3O3S2 MolecularWeight: 455.5929

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=C1N=C(C=C2C)SCC(=O)N3CCN(CC3)S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

CC1=CC=CC2=C1N=C(C=C2C)SCC(=O)N3CCN(CC3)S(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C23H25N3O3S2/c1-17-7-6-10-20-18(2)15-21(24-23(17)20)30-16-22(27)25-11-13-26(14-12-25)31(28,29)19-8-4-3-5-9-19/h3-10,15H,11-14,16H2,1-2H3