N-ethyl-3-nitro-4-(3-oxidanylidenepiperazin-1-yl)-N-phenyl-benzenesulfonamide

Systemtic Name: N-ethyl-3-nitro-4-(3-oxidanylidenepiperazin-1-yl)-N-phenyl-benzenesulfonamide Openeye Name: N-ethyl-3-nitro-4-(3-oxopiperazin-1-yl)-N-phenyl-benzenesulfonamide CAS Name: N-ethyl-3-nitro-4-(3-oxo-1-piperazinyl)-N-phenylbenzenesulfonamide IUPAC Name: N-ethyl-3-nitro-4-(3-oxopiperazin-1-yl)-N-phenylbenzenesulfonamide Traditional Name: N-ethyl-4-(3-ketopiperazino)-3-nitro-N-phenyl-benzenesulfonamide Formula: C18H20N4O5S MolecularWeight: 404.4402

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C1=CC=CC=C1)S(=O)(=O)C2=CC(=C(C=C2)N3CCNC(=O)C3)[N+](=O)[O-]

Isomeric SMILES

CCN(C1=CC=CC=C1)S(=O)(=O)C2=CC(=C(C=C2)N3CCNC(=O)C3)[N+](=O)[O-]

InChI

InChI=1S/C18H20N4O5S/c1-2-21(14-6-4-3-5-7-14)28(26,27)15-8-9-16(17(12-15)22(24)25)20-11-10-19-18(23)13-20/h3-9,12H,2,10-11,13H2,1H3,(H,19,23)