1-methylsulfonyl-N-[2-nitro-4-(trifluoromethylsulfonyl)phenyl]piperidin-4-amine

Systemtic Name: 1-methylsulfonyl-N-[2-nitro-4-(trifluoromethylsulfonyl)phenyl]piperidin-4-amine Openeye Name: 1-methylsulfonyl-N-[2-nitro-4-(trifluoromethylsulfonyl)phenyl]piperidin-4-amine CAS Name: 1-methylsulfonyl-N-[2-nitro-4-(trifluoromethylsulfonyl)phenyl]-4-piperidinamine IUPAC Name: 1-methylsulfonyl-N-[2-nitro-4-(trifluoromethylsulfonyl)phenyl]piperidin-4-amine Traditional Name: (1-mesyl-4-piperidyl)-(2-nitro-4-triflyl-phenyl)amine Formula: C13H16F3N3O6S2 MolecularWeight: 431.40785

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H16F3N3O6S2/c1-26(22,23)18-6-4-9(5-7-18)17-11-3-2-10(8-12(11)19(20)21)27(24,25)13(14,15)16/h2-3,8-9,17H,4-7H2,1H3