2-(4-methylquinolin-2-yl)sulfanyl-1-[4-(phenylsulfonyl)piperazin-1-yl]ethanone

Systemtic Name: 2-(4-methylquinolin-2-yl)sulfanyl-1-[4-(phenylsulfonyl)piperazin-1-yl]ethanone Openeye Name: 1-[4-(benzenesulfonyl)piperazin-1-yl]-2-[(4-methyl-2-quinolyl)sulfanyl]ethanone CAS Name: 1-[4-(benzenesulfonyl)-1-piperazinyl]-2-[(4-methyl-2-quinolinyl)thio]ethanone IUPAC Name: 1-[4-(benzenesulfonyl)piperazin-1-yl]-2-(4-methylquinolin-2-yl)sulfanylethanone Traditional Name: 1-(4-besylpiperazino)-2-[(4-methyl-2-quinolyl)thio]ethanone Formula: C22H23N3O3S2 MolecularWeight: 441.56632

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC2=CC=CC=C12)SCC(=O)N3CCN(CC3)S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

CC1=CC(=NC2=CC=CC=C12)SCC(=O)N3CCN(CC3)S(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C22H23N3O3S2/c1-17-15-21(23-20-10-6-5-9-19(17)20)29-16-22(26)24-11-13-25(14-12-24)30(27,28)18-7-3-2-4-8-18/h2-10,15H,11-14,16H2,1H3