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

Systemtic Name: 3-[4-[2-(2-bromanyl-4,5-dimethoxy-phenyl)ethylsulfamoyl]phenyl]propanoic acid Openeye Name: 3-[4-[2-(2-bromo-4,5-dimethoxy-phenyl)ethylsulfamoyl]phenyl]propanoic acid CAS Name: 3-[4-[2-(2-bromo-4,5-dimethoxyphenyl)ethylsulfamoyl]phenyl]propanoic acid IUPAC Name: 3-[4-[2-(2-bromo-4,5-dimethoxyphenyl)ethylsulfamoyl]phenyl]propanoic acid Traditional Name: 3-[4-[2-(2-bromo-4,5-dimethoxy-phenyl)ethylsulfamoyl]phenyl]propionic acid Formula: C19H22BrNO6S MolecularWeight: 472.35008

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H22BrNO6S/c1-26-17-11-14(16(20)12-18(17)27-2)9-10-21-28(24,25)15-6-3-13(4-7-15)5-8-19(22)23/h3-4,6-7,11-12,21H,5,8-10H2,1-2H3,(H,22,23)