N-(4-bromanyl-2,5-dimethoxy-phenyl)-4-nitro-benzenesulfonamide

Systemtic Name: N-(4-bromanyl-2,5-dimethoxy-phenyl)-4-nitro-benzenesulfonamide Openeye Name: N-(4-bromo-2,5-dimethoxy-phenyl)-4-nitro-benzenesulfonamide CAS Name: N-(4-bromo-2,5-dimethoxyphenyl)-4-nitrobenzenesulfonamide IUPAC Name: N-(4-bromo-2,5-dimethoxyphenyl)-4-nitrobenzenesulfonamide Traditional Name: N-(4-bromo-2,5-dimethoxy-phenyl)-4-nitro-benzenesulfonamide Formula: C14H13BrN2O6S MolecularWeight: 417.23182

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1NS(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-])OC)Br

Isomeric SMILES

COC1=CC(=C(C=C1NS(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-])OC)Br

InChI

InChI=1S/C14H13BrN2O6S/c1-22-13-8-12(14(23-2)7-11(13)15)16-24(20,21)10-5-3-9(4-6-10)17(18)19/h3-8,16H,1-2H3