1-[4-(4-methylsulfonyl-2-nitro-phenyl)piperazin-1-yl]-2-[2-(trifluoromethyl)phenoxy]ethanone

Systemtic Name: 1-[4-(4-methylsulfonyl-2-nitro-phenyl)piperazin-1-yl]-2-[2-(trifluoromethyl)phenoxy]ethanone Openeye Name: 1-[4-(4-methylsulfonyl-2-nitro-phenyl)piperazin-1-yl]-2-[2-(trifluoromethyl)phenoxy]ethanone CAS Name: 1-[4-(4-methylsulfonyl-2-nitrophenyl)-1-piperazinyl]-2-[2-(trifluoromethyl)phenoxy]ethanone IUPAC Name: 1-[4-(4-methylsulfonyl-2-nitrophenyl)piperazin-1-yl]-2-[2-(trifluoromethyl)phenoxy]ethanone Traditional Name: 1-[4-(4-mesyl-2-nitro-phenyl)piperazino]-2-[2-(trifluoromethyl)phenoxy]ethanone Formula: C20H20F3N3O6S MolecularWeight: 487.44951

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC(=C(C=C1)N2CCN(CC2)C(=O)COC3=CC=CC=C3C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

CS(=O)(=O)C1=CC(=C(C=C1)N2CCN(CC2)C(=O)COC3=CC=CC=C3C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C20H20F3N3O6S/c1-33(30,31)14-6-7-16(17(12-14)26(28)29)24-8-10-25(11-9-24)19(27)13-32-18-5-3-2-4-15(18)20(21,22)23/h2-7,12H,8-11,13H2,1H3