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

Systemtic Name: 3-[2-(2-bromanyl-4,5-dimethoxy-phenyl)ethylsulfamoyl]benzoic acid Openeye Name: 3-[2-(2-bromo-4,5-dimethoxy-phenyl)ethylsulfamoyl]benzoic acid CAS Name: 3-[2-(2-bromo-4,5-dimethoxyphenyl)ethylsulfamoyl]benzoic acid IUPAC Name: 3-[2-(2-bromo-4,5-dimethoxyphenyl)ethylsulfamoyl]benzoic acid Traditional Name: 3-[2-(2-bromo-4,5-dimethoxy-phenyl)ethylsulfamoyl]benzoic acid Formula: C17H18BrNO6S MolecularWeight: 444.29692

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)CCNS(=O)(=O)C2=CC=CC(=C2)C(=O)O)Br)OC

Isomeric SMILES

COC1=C(C=C(C(=C1)CCNS(=O)(=O)C2=CC=CC(=C2)C(=O)O)Br)OC

InChI

InChI=1S/C17H18BrNO6S/c1-24-15-9-11(14(18)10-16(15)25-2)6-7-19-26(22,23)13-5-3-4-12(8-13)17(20)21/h3-5,8-10,19H,6-7H2,1-2H3,(H,20,21)