N,N-dimethyl-3-nitro-4-(3-oxidanylidenepiperazin-1-yl)sulfonyl-benzenesulfonamide

Systemtic Name: N,N-dimethyl-3-nitro-4-(3-oxidanylidenepiperazin-1-yl)sulfonyl-benzenesulfonamide Openeye Name: N,N-dimethyl-3-nitro-4-(3-oxopiperazin-1-yl)sulfonyl-benzenesulfonamide CAS Name: N,N-dimethyl-3-nitro-4-[(3-oxo-1-piperazinyl)sulfonyl]benzenesulfonamide IUPAC Name: N,N-dimethyl-3-nitro-4-(3-oxopiperazin-1-yl)sulfonylbenzenesulfonamide Traditional Name: 4-(3-ketopiperazino)sulfonyl-N,N-dimethyl-3-nitro-benzenesulfonamide Formula: C12H16N4O7S2 MolecularWeight: 392.40804

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)S(=O)(=O)C1=CC(=C(C=C1)S(=O)(=O)N2CCNC(=O)C2)[N+](=O)[O-]

Isomeric SMILES

CN(C)S(=O)(=O)C1=CC(=C(C=C1)S(=O)(=O)N2CCNC(=O)C2)[N+](=O)[O-]

InChI

InChI=1S/C12H16N4O7S2/c1-14(2)24(20,21)9-3-4-11(10(7-9)16(18)19)25(22,23)15-6-5-13-12(17)8-15/h3-4,7H,5-6,8H2,1-2H3,(H,13,17)