N-[(5-azanyl-1,3,3-trimethyl-cyclohexyl)methyl]-2-nitro-4-(trifluoromethylsulfonyl)aniline

Systemtic Name: N-[(5-azanyl-1,3,3-trimethyl-cyclohexyl)methyl]-2-nitro-4-(trifluoromethylsulfonyl)aniline Openeye Name: N-[(5-amino-1,3,3-trimethyl-cyclohexyl)methyl]-2-nitro-4-(trifluoromethylsulfonyl)aniline CAS Name: N-[(5-amino-1,3,3-trimethylcyclohexyl)methyl]-2-nitro-4-(trifluoromethylsulfonyl)aniline IUPAC Name: N-[(5-amino-1,3,3-trimethylcyclohexyl)methyl]-2-nitro-4-(trifluoromethylsulfonyl)aniline Traditional Name: (5-amino-1,3,3-trimethyl-cyclohexyl)methyl-(2-nitro-4-triflyl-phenyl)amine Formula: C17H24F3N3O4S MolecularWeight: 423.45037

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(CC(C1)(C)CNC2=C(C=C(C=C2)S(=O)(=O)C(F)(F)F)[N+](=O)[O-])N)C

Isomeric SMILES

CC1(CC(CC(C1)(C)CNC2=C(C=C(C=C2)S(=O)(=O)C(F)(F)F)[N+](=O)[O-])N)C

InChI

InChI=1S/C17H24F3N3O4S/c1-15(2)7-11(21)8-16(3,9-15)10-22-13-5-4-12(6-14(13)23(24)25)28(26,27)17(18,19)20/h4-6,11,22H,7-10,21H2,1-3H3