1-[4-(phenylmethyl)sulfonylpiperazin-1-yl]-2-pyridin-2-ylsulfanyl-ethanone

Systemtic Name: 1-[4-(phenylmethyl)sulfonylpiperazin-1-yl]-2-pyridin-2-ylsulfanyl-ethanone Openeye Name: 1-(4-benzylsulfonylpiperazin-1-yl)-2-(2-pyridylsulfanyl)ethanone CAS Name: 1-[4-(phenylmethyl)sulfonyl-1-piperazinyl]-2-(2-pyridinylthio)ethanone IUPAC Name: 1-(4-benzylsulfonylpiperazin-1-yl)-2-pyridin-2-ylsulfanylethanone Traditional Name: 1-(4-benzylsulfonylpiperazino)-2-(2-pyridylthio)ethanone Formula: C18H21N3O3S2 MolecularWeight: 391.50764

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)CSC2=CC=CC=N2)S(=O)(=O)CC3=CC=CC=C3

Isomeric SMILES

C1CN(CCN1C(=O)CSC2=CC=CC=N2)S(=O)(=O)CC3=CC=CC=C3

InChI

InChI=1S/C18H21N3O3S2/c22-18(14-25-17-8-4-5-9-19-17)20-10-12-21(13-11-20)26(23,24)15-16-6-2-1-3-7-16/h1-9H,10-15H2