1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-(4-methylquinolin-2-yl)sulfanyl-ethanone

Systemtic Name: 1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-(4-methylquinolin-2-yl)sulfanyl-ethanone Openeye Name: 2-[(4-methyl-2-quinolyl)sulfanyl]-1-[4-(p-tolylsulfonyl)piperazin-1-yl]ethanone CAS Name: 1-[4-(4-methylphenyl)sulfonyl-1-piperazinyl]-2-[(4-methyl-2-quinolinyl)thio]ethanone IUPAC Name: 1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-(4-methylquinolin-2-yl)sulfanylethanone Traditional Name: 2-[(4-methyl-2-quinolyl)thio]-1-(4-tosylpiperazino)ethanone Formula: C23H25N3O3S2 MolecularWeight: 455.5929

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)CSC3=NC4=CC=CC=C4C(=C3)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)CSC3=NC4=CC=CC=C4C(=C3)C

InChI

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