N,N-diethyl-3-nitro-4-piperazin-4-ium-1-yl-benzenesulfonamide

Systemtic Name: N,N-diethyl-3-nitro-4-piperazin-4-ium-1-yl-benzenesulfonamide Openeye Name: N,N-diethyl-3-nitro-4-piperazin-4-ium-1-yl-benzenesulfonamide CAS Name: N,N-diethyl-3-nitro-4-(1-piperazin-4-iumyl)benzenesulfonamide IUPAC Name: N,N-diethyl-3-nitro-4-piperazin-4-ium-1-ylbenzenesulfonamide Traditional Name: N,N-diethyl-3-nitro-4-piperazin-4-ium-1-yl-benzenesulfonamide Formula: C14H23N4O4S+ MolecularWeight: 343.42182

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)N2CC[NH2+]CC2)[N+](=O)[O-]

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)N2CC[NH2+]CC2)[N+](=O)[O-]

InChI

InChI=1S/C14H22N4O4S/c1-3-17(4-2)23(21,22)12-5-6-13(14(11-12)18(19)20)16-9-7-15-8-10-16/h5-6,11,15H,3-4,7-10H2,1-2H3/p+1