1-[4-[[3-(phenylsulfonyl)quinolin-8-yl]methyl]piperazin-1-yl]ethanone

Systemtic Name: 1-[4-[[3-(phenylsulfonyl)quinolin-8-yl]methyl]piperazin-1-yl]ethanone Openeye Name: 1-[4-[[3-(benzenesulfonyl)-8-quinolyl]methyl]piperazin-1-yl]ethanone CAS Name: 1-[4-[[3-(benzenesulfonyl)-8-quinolinyl]methyl]-1-piperazinyl]ethanone IUPAC Name: 1-[4-[[3-(benzenesulfonyl)quinolin-8-yl]methyl]piperazin-1-yl]ethanone Traditional Name: 1-[4-[(3-besyl-8-quinolyl)methyl]piperazino]ethanone Formula: C22H23N3O3S MolecularWeight: 409.50132

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCN(CC1)CC2=CC=CC3=CC(=CN=C32)S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

CC(=O)N1CCN(CC1)CC2=CC=CC3=CC(=CN=C32)S(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C22H23N3O3S/c1-17(26)25-12-10-24(11-13-25)16-19-7-5-6-18-14-21(15-23-22(18)19)29(27,28)20-8-3-2-4-9-20/h2-9,14-15H,10-13,16H2,1H3