N-(4-methyl-2-morpholin-4-yl-pentyl)-2-nitro-4-(trifluoromethylsulfonyl)aniline

Systemtic Name: N-(4-methyl-2-morpholin-4-yl-pentyl)-2-nitro-4-(trifluoromethylsulfonyl)aniline Openeye Name: N-(4-methyl-2-morpholino-pentyl)-2-nitro-4-(trifluoromethylsulfonyl)aniline CAS Name: N-[4-methyl-2-(4-morpholinyl)pentyl]-2-nitro-4-(trifluoromethylsulfonyl)aniline IUPAC Name: N-(4-methyl-2-morpholin-4-ylpentyl)-2-nitro-4-(trifluoromethylsulfonyl)aniline Traditional Name: (4-methyl-2-morpholino-pentyl)-(2-nitro-4-triflyl-phenyl)amine Formula: C17H24F3N3O5S MolecularWeight: 439.44977

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(CNC1=C(C=C(C=C1)S(=O)(=O)C(F)(F)F)[N+](=O)[O-])N2CCOCC2

Isomeric SMILES

CC(C)CC(CNC1=C(C=C(C=C1)S(=O)(=O)C(F)(F)F)[N+](=O)[O-])N2CCOCC2

InChI

InChI=1S/C17H24F3N3O5S/c1-12(2)9-13(22-5-7-28-8-6-22)11-21-15-4-3-14(10-16(15)23(24)25)29(26,27)17(18,19)20/h3-4,10,12-13,21H,5-9,11H2,1-2H3