N-[2,6-dinitro-4-(trifluoromethyl)phenyl]-1-ethylsulfonyl-piperidin-4-amine

Systemtic Name: N-[2,6-dinitro-4-(trifluoromethyl)phenyl]-1-ethylsulfonyl-piperidin-4-amine Openeye Name: N-[2,6-dinitro-4-(trifluoromethyl)phenyl]-1-ethylsulfonyl-piperidin-4-amine CAS Name: N-[2,6-dinitro-4-(trifluoromethyl)phenyl]-1-ethylsulfonyl-4-piperidinamine IUPAC Name: N-[2,6-dinitro-4-(trifluoromethyl)phenyl]-1-ethylsulfonylpiperidin-4-amine Traditional Name: [2,6-dinitro-4-(trifluoromethyl)phenyl]-(1-esyl-4-piperidyl)amine Formula: C14H17F3N4O6S MolecularWeight: 426.36819

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)N1CCC(CC1)NC2=C(C=C(C=C2[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

CCS(=O)(=O)N1CCC(CC1)NC2=C(C=C(C=C2[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C14H17F3N4O6S/c1-2-28(26,27)19-5-3-10(4-6-19)18-13-11(20(22)23)7-9(14(15,16)17)8-12(13)21(24)25/h7-8,10,18H,2-6H2,1H3