1-[4-(phenylmethyl)sulfonylpiperazin-1-yl]-2-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-ethanone

Systemtic Name: 1-[4-(phenylmethyl)sulfonylpiperazin-1-yl]-2-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-ethanone Openeye Name: 1-(4-benzylsulfonylpiperazin-1-yl)-2-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-ethanone CAS Name: 1-[4-(phenylmethyl)sulfonyl-1-piperazinyl]-2-[[4-(trifluoromethyl)-2-pyrimidinyl]thio]ethanone IUPAC Name: 1-(4-benzylsulfonylpiperazin-1-yl)-2-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylethanone Traditional Name: 1-(4-benzylsulfonylpiperazino)-2-[[4-(trifluoromethyl)pyrimidin-2-yl]thio]ethanone Formula: C18H19F3N4O3S2 MolecularWeight: 460.49367

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H19F3N4O3S2/c19-18(20,21)15-6-7-22-17(23-15)29-12-16(26)24-8-10-25(11-9-24)30(27,28)13-14-4-2-1-3-5-14/h1-7H,8-13H2