(2-propan-2-ylsulfanylpyridin-3-yl)-[4-[4-(trifluoromethyloxy)phenyl]sulfonylpiperazin-1-yl]methanone

Systemtic Name: (2-propan-2-ylsulfanylpyridin-3-yl)-[4-[4-(trifluoromethyloxy)phenyl]sulfonylpiperazin-1-yl]methanone Openeye Name: (2-isopropylsulfanyl-3-pyridyl)-[4-[4-(trifluoromethoxy)phenyl]sulfonylpiperazin-1-yl]methanone CAS Name: [2-(propan-2-ylthio)-3-pyridinyl]-[4-[4-(trifluoromethoxy)phenyl]sulfonyl-1-piperazinyl]methanone IUPAC Name: (2-propan-2-ylsulfanylpyridin-3-yl)-[4-[4-(trifluoromethoxy)phenyl]sulfonylpiperazin-1-yl]methanone Traditional Name: [2-(isopropylthio)-3-pyridyl]-[4-[4-(trifluoromethoxy)phenyl]sulfonylpiperazino]methanone Formula: C20H22F3N3O4S2 MolecularWeight: 489.53159

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)SC1=C(C=CC=N1)C(=O)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)OC(F)(F)F

Isomeric SMILES

CC(C)SC1=C(C=CC=N1)C(=O)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)OC(F)(F)F

InChI

InChI=1S/C20H22F3N3O4S2/c1-14(2)31-18-17(4-3-9-24-18)19(27)25-10-12-26(13-11-25)32(28,29)16-7-5-15(6-8-16)30-20(21,22)23/h3-9,14H,10-13H2,1-2H3