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4-[[2-(dimethylaminomethyl)phenyl]methylamino]-N,N-diethyl-3-nitro-benzenesulfonamide
4-[[2-(dimethylaminomethyl)phenyl]methylamino]-N,N-diethyl-3-nitro-benzenesulfonamide
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Descriptors Computed from Structure
Canonical SMILES:
CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)NCC2=CC=CC=C2CN(C)C)[N+](=O)[O-]
Isomeric SMILES
CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)NCC2=CC=CC=C2CN(C)C)[N+](=O)[O-]
InChI
InChI=1S/C20H28N4O4S/c1-5-23(6-2)29(27,28)18-11-12-19(20(13-18)24(25)26)21-14-16-9-7-8-10-17(16)15-22(3)4/h7-13,21H,5-6,14-15H2,1-4H3
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