4-bromanyl-N-(3,4-dimethoxyphenyl)-3-nitro-benzenesulfonamide

Systemtic Name: 4-bromanyl-N-(3,4-dimethoxyphenyl)-3-nitro-benzenesulfonamide Openeye Name: 4-bromo-N-(3,4-dimethoxyphenyl)-3-nitro-benzenesulfonamide CAS Name: 4-bromo-N-(3,4-dimethoxyphenyl)-3-nitrobenzenesulfonamide IUPAC Name: 4-bromo-N-(3,4-dimethoxyphenyl)-3-nitrobenzenesulfonamide Traditional Name: 4-bromo-N-(3,4-dimethoxyphenyl)-3-nitro-benzenesulfonamide Formula: C14H13BrN2O6S MolecularWeight: 417.23182

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NS(=O)(=O)C2=CC(=C(C=C2)Br)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C=C1)NS(=O)(=O)C2=CC(=C(C=C2)Br)[N+](=O)[O-])OC

InChI

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