2-[2,6-dinitro-4-(trifluoromethyl)phenyl]sulfanyl-1-piperidin-1-yl-ethanone

Systemtic Name: 2-[2,6-dinitro-4-(trifluoromethyl)phenyl]sulfanyl-1-piperidin-1-yl-ethanone Openeye Name: 2-[2,6-dinitro-4-(trifluoromethyl)phenyl]sulfanyl-1-(1-piperidyl)ethanone CAS Name: 2-[[2,6-dinitro-4-(trifluoromethyl)phenyl]thio]-1-(1-piperidinyl)ethanone IUPAC Name: 2-[2,6-dinitro-4-(trifluoromethyl)phenyl]sulfanyl-1-piperidin-1-ylethanone Traditional Name: 2-[[2,6-dinitro-4-(trifluoromethyl)phenyl]thio]-1-piperidino-ethanone Formula: C14H14F3N3O5S MolecularWeight: 393.33827

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C(=O)CSC2=C(C=C(C=C2[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

C1CCN(CC1)C(=O)CSC2=C(C=C(C=C2[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C14H14F3N3O5S/c15-14(16,17)9-6-10(19(22)23)13(11(7-9)20(24)25)26-8-12(21)18-4-2-1-3-5-18/h6-7H,1-5,8H2