2-(2,4-dimethylquinolin-3-yl)-1-[4-(phenylmethyl)sulfonylpiperazin-1-yl]ethanone

Systemtic Name: 2-(2,4-dimethylquinolin-3-yl)-1-[4-(phenylmethyl)sulfonylpiperazin-1-yl]ethanone Openeye Name: 1-(4-benzylsulfonylpiperazin-1-yl)-2-(2,4-dimethyl-3-quinolyl)ethanone CAS Name: 2-(2,4-dimethyl-3-quinolinyl)-1-[4-(phenylmethyl)sulfonyl-1-piperazinyl]ethanone IUPAC Name: 1-(4-benzylsulfonylpiperazin-1-yl)-2-(2,4-dimethylquinolin-3-yl)ethanone Traditional Name: 1-(4-benzylsulfonylpiperazino)-2-(2,4-dimethyl-3-quinolyl)ethanone Formula: C24H27N3O3S MolecularWeight: 437.55448

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC2=CC=CC=C12)C)CC(=O)N3CCN(CC3)S(=O)(=O)CC4=CC=CC=C4

Isomeric SMILES

CC1=C(C(=NC2=CC=CC=C12)C)CC(=O)N3CCN(CC3)S(=O)(=O)CC4=CC=CC=C4

InChI

InChI=1S/C24H27N3O3S/c1-18-21-10-6-7-11-23(21)25-19(2)22(18)16-24(28)26-12-14-27(15-13-26)31(29,30)17-20-8-4-3-5-9-20/h3-11H,12-17H2,1-2H3