(2-methoxy-4-methylsulfanyl-phenyl)-[4-[2-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]methanone

Systemtic Name: (2-methoxy-4-methylsulfanyl-phenyl)-[4-[2-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]methanone Openeye Name: (2-methoxy-4-methylsulfanyl-phenyl)-[4-[2-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]methanone CAS Name: [2-methoxy-4-(methylthio)phenyl]-[4-[2-(trifluoromethyl)phenyl]sulfonyl-1-piperazinyl]methanone IUPAC Name: (2-methoxy-4-methylsulfanylphenyl)-[4-[2-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]methanone Traditional Name: [2-methoxy-4-(methylthio)phenyl]-[4-[2-(trifluoromethyl)phenyl]sulfonylpiperazino]methanone Formula: C20H21F3N2O4S2 MolecularWeight: 474.51695

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)SC)C(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3C(F)(F)F

Isomeric SMILES

COC1=C(C=CC(=C1)SC)C(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3C(F)(F)F

InChI

InChI=1S/C20H21F3N2O4S2/c1-29-17-13-14(30-2)7-8-15(17)19(26)24-9-11-25(12-10-24)31(27,28)18-6-4-3-5-16(18)20(21,22)23/h3-8,13H,9-12H2,1-2H3