2-(4-methylquinolin-2-yl)sulfanyl-1-(4-methylsulfonylpiperazin-1-yl)ethanone

Systemtic Name: 2-(4-methylquinolin-2-yl)sulfanyl-1-(4-methylsulfonylpiperazin-1-yl)ethanone Openeye Name: 2-[(4-methyl-2-quinolyl)sulfanyl]-1-(4-methylsulfonylpiperazin-1-yl)ethanone CAS Name: 2-[(4-methyl-2-quinolinyl)thio]-1-(4-methylsulfonyl-1-piperazinyl)ethanone IUPAC Name: 2-(4-methylquinolin-2-yl)sulfanyl-1-(4-methylsulfonylpiperazin-1-yl)ethanone Traditional Name: 1-(4-mesylpiperazino)-2-[(4-methyl-2-quinolyl)thio]ethanone Formula: C17H21N3O3S2 MolecularWeight: 379.49694

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC2=CC=CC=C12)SCC(=O)N3CCN(CC3)S(=O)(=O)C

Isomeric SMILES

CC1=CC(=NC2=CC=CC=C12)SCC(=O)N3CCN(CC3)S(=O)(=O)C

InChI

InChI=1S/C17H21N3O3S2/c1-13-11-16(18-15-6-4-3-5-14(13)15)24-12-17(21)19-7-9-20(10-8-19)25(2,22)23/h3-6,11H,7-10,12H2,1-2H3