2-[5-[2-(2-bromanyl-4,5-dimethoxy-phenyl)ethylsulfamoyl]thiophen-2-yl]ethanoic acid

Systemtic Name: 2-[5-[2-(2-bromanyl-4,5-dimethoxy-phenyl)ethylsulfamoyl]thiophen-2-yl]ethanoic acid Openeye Name: 2-[5-[2-(2-bromo-4,5-dimethoxy-phenyl)ethylsulfamoyl]-2-thienyl]acetic acid CAS Name: 2-[5-[2-(2-bromo-4,5-dimethoxyphenyl)ethylsulfamoyl]-2-thiophenyl]acetic acid IUPAC Name: 2-[5-[2-(2-bromo-4,5-dimethoxyphenyl)ethylsulfamoyl]thiophen-2-yl]acetic acid Traditional Name: 2-[5-[2-(2-bromo-4,5-dimethoxy-phenyl)ethylsulfamoyl]-2-thienyl]acetic acid Formula: C16H18BrNO6S2 MolecularWeight: 464.35122

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)CCNS(=O)(=O)C2=CC=C(S2)CC(=O)O)Br)OC

Isomeric SMILES

COC1=C(C=C(C(=C1)CCNS(=O)(=O)C2=CC=C(S2)CC(=O)O)Br)OC

InChI

InChI=1S/C16H18BrNO6S2/c1-23-13-7-10(12(17)9-14(13)24-2)5-6-18-26(21,22)16-4-3-11(25-16)8-15(19)20/h3-4,7,9,18H,5-6,8H2,1-2H3,(H,19,20)