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

Systemtic Name: N,N-diethyl-3-nitro-4-(3-oxidanylidenepiperazin-1-yl)benzenesulfonamide Openeye Name: N,N-diethyl-3-nitro-4-(3-oxopiperazin-1-yl)benzenesulfonamide CAS Name: N,N-diethyl-3-nitro-4-(3-oxo-1-piperazinyl)benzenesulfonamide IUPAC Name: N,N-diethyl-3-nitro-4-(3-oxopiperazin-1-yl)benzenesulfonamide Traditional Name: N,N-diethyl-4-(3-ketopiperazino)-3-nitro-benzenesulfonamide Formula: C14H20N4O5S MolecularWeight: 356.3974

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H20N4O5S/c1-3-17(4-2)24(22,23)11-5-6-12(13(9-11)18(20)21)16-8-7-15-14(19)10-16/h5-6,9H,3-4,7-8,10H2,1-2H3,(H,15,19)