1-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-2-[5-(trifluoromethyl)pyridin-2-yl]sulfanyl-ethanone

Systemtic Name: 1-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-2-[5-(trifluoromethyl)pyridin-2-yl]sulfanyl-ethanone Openeye Name: 1-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-2-[[5-(trifluoromethyl)-2-pyridyl]sulfanyl]ethanone CAS Name: 1-[4-(4-methoxyphenyl)sulfonyl-1-piperazinyl]-2-[[5-(trifluoromethyl)-2-pyridinyl]thio]ethanone IUPAC Name: 1-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-2-[5-(trifluoromethyl)pyridin-2-yl]sulfanylethanone Traditional Name: 1-[4-(4-methoxyphenyl)sulfonylpiperazino]-2-[[5-(trifluoromethyl)-2-pyridyl]thio]ethanone Formula: C19H20F3N3O4S2 MolecularWeight: 475.50501

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)CSC3=NC=C(C=C3)C(F)(F)F

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)CSC3=NC=C(C=C3)C(F)(F)F

InChI

InChI=1S/C19H20F3N3O4S2/c1-29-15-3-5-16(6-4-15)31(27,28)25-10-8-24(9-11-25)18(26)13-30-17-7-2-14(12-23-17)19(20,21)22/h2-7,12H,8-11,13H2,1H3