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4-[3-(azepan-1-ium-1-yl)propylamino]-N-tert-butyl-3-nitro-benzenesulfonamide
4-[3-(azepan-1-ium-1-yl)propylamino]-N-tert-butyl-3-nitro-benzenesulfonamide
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Descriptors Computed from Structure
Canonical SMILES:
CC(C)(C)NS(=O)(=O)C1=CC(=C(C=C1)NCCC[NH+]2CCCCCC2)[N+](=O)[O-]
Isomeric SMILES
CC(C)(C)NS(=O)(=O)C1=CC(=C(C=C1)NCCC[NH+]2CCCCCC2)[N+](=O)[O-]
InChI
InChI=1S/C19H32N4O4S/c1-19(2,3)21-28(26,27)16-9-10-17(18(15-16)23(24)25)20-11-8-14-22-12-6-4-5-7-13-22/h9-10,15,20-21H,4-8,11-14H2,1-3H3/p+1
Other Product
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