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

Systemtic Name: (4-methylsulfanyl-3-nitro-phenyl)-[4-[2-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]methanone Openeye Name: (4-methylsulfanyl-3-nitro-phenyl)-[4-[2-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]methanone CAS Name: [4-(methylthio)-3-nitrophenyl]-[4-[2-(trifluoromethyl)phenyl]sulfonyl-1-piperazinyl]methanone IUPAC Name: (4-methylsulfanyl-3-nitrophenyl)-[4-[2-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]methanone Traditional Name: [4-(methylthio)-3-nitro-phenyl]-[4-[2-(trifluoromethyl)phenyl]sulfonylpiperazino]methanone Formula: C19H18F3N3O5S2 MolecularWeight: 489.48853

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C=C(C=C1)C(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

CSC1=C(C=C(C=C1)C(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C19H18F3N3O5S2/c1-31-16-7-6-13(12-15(16)25(27)28)18(26)23-8-10-24(11-9-23)32(29,30)17-5-3-2-4-14(17)19(20,21)22/h2-7,12H,8-11H2,1H3