N,N-diethyl-4-[[(3-nitropyridin-1-ium-2-yl)amino]methyl]benzenesulfonamide

Systemtic Name: N,N-diethyl-4-[[(3-nitropyridin-1-ium-2-yl)amino]methyl]benzenesulfonamide Openeye Name: N,N-diethyl-4-[[(3-nitropyridin-1-ium-2-yl)amino]methyl]benzenesulfonamide CAS Name: N,N-diethyl-4-[[(3-nitro-2-pyridin-1-iumyl)amino]methyl]benzenesulfonamide IUPAC Name: N,N-diethyl-4-[[(3-nitropyridin-1-ium-2-yl)amino]methyl]benzenesulfonamide Traditional Name: N,N-diethyl-4-[[(3-nitropyridin-1-ium-2-yl)amino]methyl]benzenesulfonamide Formula: C16H21N4O4S+ MolecularWeight: 365.42734

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC=C(C=C1)CNC2=C(C=CC=[NH+]2)[N+](=O)[O-]

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC=C(C=C1)CNC2=C(C=CC=[NH+]2)[N+](=O)[O-]

InChI

InChI=1S/C16H20N4O4S/c1-3-19(4-2)25(23,24)14-9-7-13(8-10-14)12-18-16-15(20(21)22)6-5-11-17-16/h5-11H,3-4,12H2,1-2H3,(H,17,18)/p+1