N-[4-tert-butyl-3-[2-(2-methoxyethoxy)-5-nitro-phenyl]sulfonylimino-6-oxidanylidene-cyclohexa-1,4-dien-1-yl]-2-(2-methoxyethoxy)-5-nitro-benzenesulfonamide

Systemtic Name: N-[4-tert-butyl-3-[2-(2-methoxyethoxy)-5-nitro-phenyl]sulfonylimino-6-oxidanylidene-cyclohexa-1,4-dien-1-yl]-2-(2-methoxyethoxy)-5-nitro-benzenesulfonamide Openeye Name: N-[4-tert-butyl-3-[2-(2-methoxyethoxy)-5-nitro-phenyl]sulfonylimino-6-oxo-cyclohexa-1,4-dien-1-yl]-2-(2-methoxyethoxy)-5-nitro-benzenesulfonamide CAS Name: N-[4-tert-butyl-3-[2-(2-methoxyethoxy)-5-nitrophenyl]sulfonylimino-6-oxo-1-cyclohexa-1,4-dienyl]-2-(2-methoxyethoxy)-5-nitrobenzenesulfonamide IUPAC Name: N-[4-tert-butyl-3-[2-(2-methoxyethoxy)-5-nitrophenyl]sulfonylimino-6-oxocyclohexa-1,4-dien-1-yl]-2-(2-methoxyethoxy)-5-nitrobenzenesulfonamide Traditional Name: N-[4-tert-butyl-6-keto-3-[2-(2-methoxyethoxy)-5-nitro-phenyl]sulfonylimino-cyclohexa-1,4-dien-1-yl]-2-(2-methoxyethoxy)-5-nitro-benzenesulfonamide Formula: C28H32N4O13S2 MolecularWeight: 696.70268

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=O)C(=CC1=NS(=O)(=O)C2=C(C=CC(=C2)[N+](=O)[O-])OCCOC)NS(=O)(=O)C3=C(C=CC(=C3)[N+](=O)[O-])OCCOC

Isomeric SMILES

CC(C)(C)C1=CC(=O)C(=CC1=NS(=O)(=O)C2=C(C=CC(=C2)[N+](=O)[O-])OCCOC)NS(=O)(=O)C3=C(C=CC(=C3)[N+](=O)[O-])OCCOC

InChI

InChI=1S/C28H32N4O13S2/c1-28(2,3)20-16-23(33)22(30-47(40,41)27-15-19(32(36)37)7-9-25(27)45-13-11-43-5)17-21(20)29-46(38,39)26-14-18(31(34)35)6-8-24(26)44-12-10-42-4/h6-9,14-17,30H,10-13H2,1-5H3