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N-[3-[[4-nitro-2-(trifluoromethyl)phenyl]amino]propyl]methanesulfonamide
N-[3-[[4-nitro-2-(trifluoromethyl)phenyl]amino]propyl]methanesulfonamide
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Descriptors Computed from Structure
Canonical SMILES:
CS(=O)(=O)NCCCNC1=C(C=C(C=C1)[N+](=O)[O-])C(F)(F)F
Isomeric SMILES
CS(=O)(=O)NCCCNC1=C(C=C(C=C1)[N+](=O)[O-])C(F)(F)F
InChI
InChI=1S/C11H14F3N3O4S/c1-22(20,21)16-6-2-5-15-10-4-3-8(17(18)19)7-9(10)11(12,13)14/h3-4,7,15-16H,2,5-6H2,1H3
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