1-[4-(phenylsulfonyl)piperazin-1-yl]-2-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-ethanone

Systemtic Name: 1-[4-(phenylsulfonyl)piperazin-1-yl]-2-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-ethanone Openeye Name: 1-[4-(benzenesulfonyl)piperazin-1-yl]-2-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-ethanone CAS Name: 1-[4-(benzenesulfonyl)-1-piperazinyl]-2-[[4-(trifluoromethyl)-2-pyrimidinyl]thio]ethanone IUPAC Name: 1-[4-(benzenesulfonyl)piperazin-1-yl]-2-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylethanone Traditional Name: 1-(4-besylpiperazino)-2-[[4-(trifluoromethyl)pyrimidin-2-yl]thio]ethanone Formula: C17H17F3N4O3S2 MolecularWeight: 446.46709

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H17F3N4O3S2/c18-17(19,20)14-6-7-21-16(22-14)28-12-15(25)23-8-10-24(11-9-23)29(26,27)13-4-2-1-3-5-13/h1-7H,8-12H2