N-(3-methyl-2-morpholin-4-yl-butyl)-2-nitro-4-(trifluoromethylsulfonyl)aniline

Systemtic Name: N-(3-methyl-2-morpholin-4-yl-butyl)-2-nitro-4-(trifluoromethylsulfonyl)aniline Openeye Name: N-(3-methyl-2-morpholino-butyl)-2-nitro-4-(trifluoromethylsulfonyl)aniline CAS Name: N-[3-methyl-2-(4-morpholinyl)butyl]-2-nitro-4-(trifluoromethylsulfonyl)aniline IUPAC Name: N-(3-methyl-2-morpholin-4-ylbutyl)-2-nitro-4-(trifluoromethylsulfonyl)aniline Traditional Name: (3-methyl-2-morpholino-butyl)-(2-nitro-4-triflyl-phenyl)amine Formula: C16H22F3N3O5S MolecularWeight: 425.42319

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H22F3N3O5S/c1-11(2)15(21-5-7-27-8-6-21)10-20-13-4-3-12(9-14(13)22(23)24)28(25,26)16(17,18)19/h3-4,9,11,15,20H,5-8,10H2,1-2H3