4-methylsulfonylsulfanyl-1-[4-(6-pyridin-2-ylpyridin-3-yl)carbonylpiperazin-1-yl]butan-1-one

Systemtic Name: 4-methylsulfonylsulfanyl-1-[4-(6-pyridin-2-ylpyridin-3-yl)carbonylpiperazin-1-yl]butan-1-one Openeye Name: 4-methylsulfonylsulfanyl-1-[4-[6-(2-pyridyl)pyridine-3-carbonyl]piperazin-1-yl]butan-1-one CAS Name: 4-(methylsulfonylthio)-1-[4-[oxo-[6-(2-pyridinyl)-3-pyridinyl]methyl]-1-piperazinyl]-1-butanone IUPAC Name: 4-methylsulfonylsulfanyl-1-[4-(6-pyridin-2-ylpyridine-3-carbonyl)piperazin-1-yl]butan-1-one Traditional Name: 4-(mesylthio)-1-[4-[6-(2-pyridyl)nicotinoyl]piperazino]butan-1-one Formula: C20H24N4O4S2 MolecularWeight: 448.55896

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)SCCCC(=O)N1CCN(CC1)C(=O)C2=CN=C(C=C2)C3=CC=CC=N3

Isomeric SMILES

CS(=O)(=O)SCCCC(=O)N1CCN(CC1)C(=O)C2=CN=C(C=C2)C3=CC=CC=N3

InChI

InChI=1S/C20H24N4O4S2/c1-30(27,28)29-14-4-6-19(25)23-10-12-24(13-11-23)20(26)16-7-8-18(22-15-16)17-5-2-3-9-21-17/h2-3,5,7-9,15H,4,6,10-14H2,1H3