1-(4-methylpiperazin-1-yl)-2-[2-nitro-4-(trifluoromethylsulfonyl)phenyl]sulfonyl-ethanone

Systemtic Name: 1-(4-methylpiperazin-1-yl)-2-[2-nitro-4-(trifluoromethylsulfonyl)phenyl]sulfonyl-ethanone Openeye Name: 1-(4-methylpiperazin-1-yl)-2-[2-nitro-4-(trifluoromethylsulfonyl)phenyl]sulfonyl-ethanone CAS Name: 1-(4-methyl-1-piperazinyl)-2-[2-nitro-4-(trifluoromethylsulfonyl)phenyl]sulfonylethanone IUPAC Name: 1-(4-methylpiperazin-1-yl)-2-[2-nitro-4-(trifluoromethylsulfonyl)phenyl]sulfonylethanone Traditional Name: 1-(4-methylpiperazino)-2-(2-nitro-4-triflyl-phenyl)sulfonyl-ethanone Formula: C14H16F3N3O7S2 MolecularWeight: 459.41795

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C(=O)CS(=O)(=O)C2=C(C=C(C=C2)S(=O)(=O)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

CN1CCN(CC1)C(=O)CS(=O)(=O)C2=C(C=C(C=C2)S(=O)(=O)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C14H16F3N3O7S2/c1-18-4-6-19(7-5-18)13(21)9-28(24,25)12-3-2-10(8-11(12)20(22)23)29(26,27)14(15,16)17/h2-3,8H,4-7,9H2,1H3