4-bromanyl-3-[2-(4,5-dimethoxy-2-nitro-phenyl)ethylsulfamoyl]benzoic acid

Systemtic Name: 4-bromanyl-3-[2-(4,5-dimethoxy-2-nitro-phenyl)ethylsulfamoyl]benzoic acid Openeye Name: 4-bromo-3-[2-(4,5-dimethoxy-2-nitro-phenyl)ethylsulfamoyl]benzoic acid CAS Name: 4-bromo-3-[2-(4,5-dimethoxy-2-nitrophenyl)ethylsulfamoyl]benzoic acid IUPAC Name: 4-bromo-3-[2-(4,5-dimethoxy-2-nitrophenyl)ethylsulfamoyl]benzoic acid Traditional Name: 4-bromo-3-[2-(4,5-dimethoxy-2-nitro-phenyl)ethylsulfamoyl]benzoic acid Formula: C17H17BrN2O8S MolecularWeight: 489.29448

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H17BrN2O8S/c1-27-14-7-10(13(20(23)24)9-15(14)28-2)5-6-19-29(25,26)16-8-11(17(21)22)3-4-12(16)18/h3-4,7-9,19H,5-6H2,1-2H3,(H,21,22)