1-[4-(phenylsulfonyl)piperazin-1-yl]-2-[5-(trifluoromethyl)pyridin-2-yl]sulfanyl-ethanone

Systemtic Name: 1-[4-(phenylsulfonyl)piperazin-1-yl]-2-[5-(trifluoromethyl)pyridin-2-yl]sulfanyl-ethanone Openeye Name: 1-[4-(benzenesulfonyl)piperazin-1-yl]-2-[[5-(trifluoromethyl)-2-pyridyl]sulfanyl]ethanone CAS Name: 1-[4-(benzenesulfonyl)-1-piperazinyl]-2-[[5-(trifluoromethyl)-2-pyridinyl]thio]ethanone IUPAC Name: 1-[4-(benzenesulfonyl)piperazin-1-yl]-2-[5-(trifluoromethyl)pyridin-2-yl]sulfanylethanone Traditional Name: 1-(4-besylpiperazino)-2-[[5-(trifluoromethyl)-2-pyridyl]thio]ethanone Formula: C18H18F3N3O3S2 MolecularWeight: 445.47903

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)CSC2=NC=C(C=C2)C(F)(F)F)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

C1CN(CCN1C(=O)CSC2=NC=C(C=C2)C(F)(F)F)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C18H18F3N3O3S2/c19-18(20,21)14-6-7-16(22-12-14)28-13-17(25)23-8-10-24(11-9-23)29(26,27)15-4-2-1-3-5-15/h1-7,12H,8-11,13H2