N,N-dimethyl-3-nitro-4-[(5-oxidanylidene-1,4-diazepan-1-yl)sulfonyl]benzenesulfonamide

Systemtic Name: N,N-dimethyl-3-nitro-4-[(5-oxidanylidene-1,4-diazepan-1-yl)sulfonyl]benzenesulfonamide Openeye Name: N,N-dimethyl-3-nitro-4-[(5-oxo-1,4-diazepan-1-yl)sulfonyl]benzenesulfonamide CAS Name: N,N-dimethyl-3-nitro-4-[(5-oxo-1,4-diazepan-1-yl)sulfonyl]benzenesulfonamide IUPAC Name: N,N-dimethyl-3-nitro-4-[(5-oxo-1,4-diazepan-1-yl)sulfonyl]benzenesulfonamide Traditional Name: 4-[(5-keto-1,4-diazepan-1-yl)sulfonyl]-N,N-dimethyl-3-nitro-benzenesulfonamide Formula: C13H18N4O7S2 MolecularWeight: 406.43462

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)S(=O)(=O)C1=CC(=C(C=C1)S(=O)(=O)N2CCC(=O)NCC2)[N+](=O)[O-]

Isomeric SMILES

CN(C)S(=O)(=O)C1=CC(=C(C=C1)S(=O)(=O)N2CCC(=O)NCC2)[N+](=O)[O-]

InChI

InChI=1S/C13H18N4O7S2/c1-15(2)25(21,22)10-3-4-12(11(9-10)17(19)20)26(23,24)16-7-5-13(18)14-6-8-16/h3-4,9H,5-8H2,1-2H3,(H,14,18)