N-(2-methoxyphenyl)-5-nitro-2-(3-oxidanylidenepiperazin-1-yl)benzenesulfonamide

Systemtic Name: N-(2-methoxyphenyl)-5-nitro-2-(3-oxidanylidenepiperazin-1-yl)benzenesulfonamide Openeye Name: N-(2-methoxyphenyl)-5-nitro-2-(3-oxopiperazin-1-yl)benzenesulfonamide CAS Name: N-(2-methoxyphenyl)-5-nitro-2-(3-oxo-1-piperazinyl)benzenesulfonamide IUPAC Name: N-(2-methoxyphenyl)-5-nitro-2-(3-oxopiperazin-1-yl)benzenesulfonamide Traditional Name: 2-(3-ketopiperazino)-N-(2-methoxyphenyl)-5-nitro-benzenesulfonamide Formula: C17H18N4O6S MolecularWeight: 406.41302

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1NS(=O)(=O)C2=C(C=CC(=C2)[N+](=O)[O-])N3CCNC(=O)C3

Isomeric SMILES

COC1=CC=CC=C1NS(=O)(=O)C2=C(C=CC(=C2)[N+](=O)[O-])N3CCNC(=O)C3

InChI

InChI=1S/C17H18N4O6S/c1-27-15-5-3-2-4-13(15)19-28(25,26)16-10-12(21(23)24)6-7-14(16)20-9-8-18-17(22)11-20/h2-7,10,19H,8-9,11H2,1H3,(H,18,22)