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

Systemtic Name: 1-[4-[2,6-bis(fluoranyl)phenyl]sulfonylpiperazin-1-yl]-2-pyrimidin-2-ylsulfanyl-ethanone Openeye Name: 1-[4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]-2-pyrimidin-2-ylsulfanyl-ethanone CAS Name: 1-[4-(2,6-difluorophenyl)sulfonyl-1-piperazinyl]-2-(2-pyrimidinylthio)ethanone IUPAC Name: 1-[4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]-2-pyrimidin-2-ylsulfanylethanone Traditional Name: 1-[4-(2,6-difluorophenyl)sulfonylpiperazino]-2-(2-pyrimidylthio)ethanone Formula: C16H16F2N4O3S2 MolecularWeight: 414.450046

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H16F2N4O3S2/c17-12-3-1-4-13(18)15(12)27(24,25)22-9-7-21(8-10-22)14(23)11-26-16-19-5-2-6-20-16/h1-6H,7-11H2