2-[3-chloranyl-5-(trifluoromethyl)pyridin-2-yl]sulfanyl-1-[4-(phenylsulfonyl)piperazin-1-yl]ethanone

Systemtic Name: 2-[3-chloranyl-5-(trifluoromethyl)pyridin-2-yl]sulfanyl-1-[4-(phenylsulfonyl)piperazin-1-yl]ethanone Openeye Name: 1-[4-(benzenesulfonyl)piperazin-1-yl]-2-[[3-chloro-5-(trifluoromethyl)-2-pyridyl]sulfanyl]ethanone CAS Name: 1-[4-(benzenesulfonyl)-1-piperazinyl]-2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]thio]ethanone IUPAC Name: 1-[4-(benzenesulfonyl)piperazin-1-yl]-2-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]sulfanylethanone Traditional Name: 1-(4-besylpiperazino)-2-[[3-chloro-5-(trifluoromethyl)-2-pyridyl]thio]ethanone Formula: C18H17ClF3N3O3S2 MolecularWeight: 479.92409

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H17ClF3N3O3S2/c19-15-10-13(18(20,21)22)11-23-17(15)29-12-16(26)24-6-8-25(9-7-24)30(27,28)14-4-2-1-3-5-14/h1-5,10-11H,6-9,12H2