(2-methylsulfanylpyridin-3-yl)-[4-[4-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]methanone

Systemtic Name: (2-methylsulfanylpyridin-3-yl)-[4-[4-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]methanone Openeye Name: (2-methylsulfanyl-3-pyridyl)-[4-[4-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]methanone CAS Name: [2-(methylthio)-3-pyridinyl]-[4-[4-(trifluoromethyl)phenyl]sulfonyl-1-piperazinyl]methanone IUPAC Name: (2-methylsulfanylpyridin-3-yl)-[4-[4-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]methanone Traditional Name: [2-(methylthio)-3-pyridyl]-[4-[4-(trifluoromethyl)phenyl]sulfonylpiperazino]methanone Formula: C18H18F3N3O3S2 MolecularWeight: 445.47903

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C=CC=N1)C(=O)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C(F)(F)F

Isomeric SMILES

CSC1=C(C=CC=N1)C(=O)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C(F)(F)F

InChI

InChI=1S/C18H18F3N3O3S2/c1-28-16-15(3-2-8-22-16)17(25)23-9-11-24(12-10-23)29(26,27)14-6-4-13(5-7-14)18(19,20)21/h2-8H,9-12H2,1H3