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N-[4-[[2-nitro-4-(trifluoromethyl)phenyl]amino]butyl]benzenesulfonamide
N-[4-[[2-nitro-4-(trifluoromethyl)phenyl]amino]butyl]benzenesulfonamide
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Descriptors Computed from Structure
Canonical SMILES:
C1=CC=C(C=C1)S(=O)(=O)NCCCCNC2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-]
Isomeric SMILES
C1=CC=C(C=C1)S(=O)(=O)NCCCCNC2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-]
InChI
InChI=1S/C17H18F3N3O4S/c18-17(19,20)13-8-9-15(16(12-13)23(24)25)21-10-4-5-11-22-28(26,27)14-6-2-1-3-7-14/h1-3,6-9,12,21-22H,4-5,10-11H2
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