1-[4-[4-[2-(4-methoxyphenyl)quinolin-4-yl]carbonylpiperazin-1-yl]sulfonylphenyl]ethanone

Systemtic Name: 1-[4-[4-[2-(4-methoxyphenyl)quinolin-4-yl]carbonylpiperazin-1-yl]sulfonylphenyl]ethanone Openeye Name: 1-[4-[4-[2-(4-methoxyphenyl)quinoline-4-carbonyl]piperazin-1-yl]sulfonylphenyl]ethanone CAS Name: 1-[4-[[4-[[2-(4-methoxyphenyl)-4-quinolinyl]-oxomethyl]-1-piperazinyl]sulfonyl]phenyl]ethanone IUPAC Name: 1-[4-[4-[2-(4-methoxyphenyl)quinoline-4-carbonyl]piperazin-1-yl]sulfonylphenyl]ethanone Traditional Name: 1-[4-[4-[2-(4-methoxyphenyl)quinoline-4-carbonyl]piperazino]sulfonylphenyl]ethanone Formula: C29H27N3O5S MolecularWeight: 529.60678

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=C(C=C5)OC

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=C(C=C5)OC

InChI

InChI=1S/C29H27N3O5S/c1-20(33)21-9-13-24(14-10-21)38(35,36)32-17-15-31(16-18-32)29(34)26-19-28(22-7-11-23(37-2)12-8-22)30-27-6-4-3-5-25(26)27/h3-14,19H,15-18H2,1-2H3