1-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-2-pyrimidin-2-ylsulfanyl-ethanone

Systemtic Name: 1-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-2-pyrimidin-2-ylsulfanyl-ethanone Openeye Name: 1-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-2-pyrimidin-2-ylsulfanyl-ethanone CAS Name: 1-[4-(4-fluorophenyl)sulfonyl-1-piperazinyl]-2-(2-pyrimidinylthio)ethanone IUPAC Name: 1-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-2-pyrimidin-2-ylsulfanylethanone Traditional Name: 1-[4-(4-fluorophenyl)sulfonylpiperazino]-2-(2-pyrimidylthio)ethanone Formula: C16H17FN4O3S2 MolecularWeight: 396.459583

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H17FN4O3S2/c17-13-2-4-14(5-3-13)26(23,24)21-10-8-20(9-11-21)15(22)12-25-16-18-6-1-7-19-16/h1-7H,8-12H2