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

Systemtic Name: N-[2,6-dinitro-4-(trifluoromethyl)phenyl]-1-methylsulfonyl-piperidin-4-amine Openeye Name: N-[2,6-dinitro-4-(trifluoromethyl)phenyl]-1-methylsulfonyl-piperidin-4-amine CAS Name: N-[2,6-dinitro-4-(trifluoromethyl)phenyl]-1-methylsulfonyl-4-piperidinamine IUPAC Name: N-[2,6-dinitro-4-(trifluoromethyl)phenyl]-1-methylsulfonylpiperidin-4-amine Traditional Name: [2,6-dinitro-4-(trifluoromethyl)phenyl]-(1-mesyl-4-piperidyl)amine Formula: C13H15F3N4O6S MolecularWeight: 412.34161

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H15F3N4O6S/c1-27(25,26)18-4-2-9(3-5-18)17-12-10(19(21)22)6-8(13(14,15)16)7-11(12)20(23)24/h6-7,9,17H,2-5H2,1H3