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

Systemtic Name: N-(4-tert-butyl-3,3-dimethoxy-6-oxidanylidene-cyclohexa-1,4-dien-1-yl)-2-(2-methoxyethoxy)-5-nitro-benzenesulfonamide Openeye Name: N-(4-tert-butyl-3,3-dimethoxy-6-oxo-cyclohexa-1,4-dien-1-yl)-2-(2-methoxyethoxy)-5-nitro-benzenesulfonamide CAS Name: N-(4-tert-butyl-3,3-dimethoxy-6-oxo-1-cyclohexa-1,4-dienyl)-2-(2-methoxyethoxy)-5-nitrobenzenesulfonamide IUPAC Name: N-(4-tert-butyl-3,3-dimethoxy-6-oxocyclohexa-1,4-dien-1-yl)-2-(2-methoxyethoxy)-5-nitrobenzenesulfonamide Traditional Name: N-(4-tert-butyl-6-keto-3,3-dimethoxy-cyclohexa-1,4-dien-1-yl)-2-(2-methoxyethoxy)-5-nitro-benzenesulfonamide Formula: C21H28N2O9S MolecularWeight: 484.52002

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H28N2O9S/c1-20(2,3)19-12-16(24)15(13-21(19,30-5)31-6)22-33(27,28)18-11-14(23(25)26)7-8-17(18)32-10-9-29-4/h7-8,11-13,22H,9-10H2,1-6H3