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N-[4-[[2-nitro-4-(trifluoromethyl)phenyl]amino]butyl]methanesulfonamide
N-[4-[[2-nitro-4-(trifluoromethyl)phenyl]amino]butyl]methanesulfonamide
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Descriptors Computed from Structure
Canonical SMILES:
CS(=O)(=O)NCCCCNC1=C(C=C(C=C1)C(F)(F)F)[N+](=O)[O-]
Isomeric SMILES
CS(=O)(=O)NCCCCNC1=C(C=C(C=C1)C(F)(F)F)[N+](=O)[O-]
InChI
InChI=1S/C12H16F3N3O4S/c1-23(21,22)17-7-3-2-6-16-10-5-4-9(12(13,14)15)8-11(10)18(19)20/h4-5,8,16-17H,2-3,6-7H2,1H3
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- 2-[(6-methylquinazolin-4-yl)amino]butanedioic acid
