1-[4-[2,6-bis(fluoranyl)phenyl]sulfonylpiperazin-1-yl]-2-pyridin-2-ylsulfanyl-ethanone

Systemtic Name: 1-[4-[2,6-bis(fluoranyl)phenyl]sulfonylpiperazin-1-yl]-2-pyridin-2-ylsulfanyl-ethanone Openeye Name: 1-[4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]-2-(2-pyridylsulfanyl)ethanone CAS Name: 1-[4-(2,6-difluorophenyl)sulfonyl-1-piperazinyl]-2-(2-pyridinylthio)ethanone IUPAC Name: 1-[4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]-2-pyridin-2-ylsulfanylethanone Traditional Name: 1-[4-(2,6-difluorophenyl)sulfonylpiperazino]-2-(2-pyridylthio)ethanone Formula: C17H17F2N3O3S2 MolecularWeight: 413.461986

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)CSC2=CC=CC=N2)S(=O)(=O)C3=C(C=CC=C3F)F

Isomeric SMILES

C1CN(CCN1C(=O)CSC2=CC=CC=N2)S(=O)(=O)C3=C(C=CC=C3F)F

InChI

InChI=1S/C17H17F2N3O3S2/c18-13-4-3-5-14(19)17(13)27(24,25)22-10-8-21(9-11-22)16(23)12-26-15-6-1-2-7-20-15/h1-7H,8-12H2