N,N-diethyl-3-nitro-4-[4-(1-oxidanidylpyridin-1-ium-3-yl)carbonylpiperazin-1-yl]benzenesulfonamide

Systemtic Name: N,N-diethyl-3-nitro-4-[4-(1-oxidanidylpyridin-1-ium-3-yl)carbonylpiperazin-1-yl]benzenesulfonamide Openeye Name: N,N-diethyl-3-nitro-4-[4-(1-oxidopyridin-1-ium-3-carbonyl)piperazin-1-yl]benzenesulfonamide CAS Name: N,N-diethyl-3-nitro-4-[4-[(1-oxido-3-pyridin-1-iumyl)-oxomethyl]-1-piperazinyl]benzenesulfonamide IUPAC Name: N,N-diethyl-3-nitro-4-[4-(1-oxidopyridin-1-ium-3-carbonyl)piperazin-1-yl]benzenesulfonamide Traditional Name: N,N-diethyl-3-nitro-4-[4-(1-oxidopyridin-1-ium-3-carbonyl)piperazino]benzenesulfonamide Formula: C20H25N5O6S MolecularWeight: 463.5074

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)N2CCN(CC2)C(=O)C3=C[N+](=CC=C3)[O-])[N+](=O)[O-]

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)N2CCN(CC2)C(=O)C3=C[N+](=CC=C3)[O-])[N+](=O)[O-]

InChI

InChI=1S/C20H25N5O6S/c1-3-24(4-2)32(30,31)17-7-8-18(19(14-17)25(28)29)21-10-12-22(13-11-21)20(26)16-6-5-9-23(27)15-16/h5-9,14-15H,3-4,10-13H2,1-2H3