5-[2-(3,4-dimethoxyphenyl)ethylsulfamoyl]-3-methyl-1-benzofuran-2-carboxylic acid

Systemtic Name: 5-[2-(3,4-dimethoxyphenyl)ethylsulfamoyl]-3-methyl-1-benzofuran-2-carboxylic acid Openeye Name: 5-[2-(3,4-dimethoxyphenyl)ethylsulfamoyl]-3-methyl-benzofuran-2-carboxylic acid CAS Name: 5-[2-(3,4-dimethoxyphenyl)ethylsulfamoyl]-3-methyl-2-benzofurancarboxylic acid IUPAC Name: 5-[2-(3,4-dimethoxyphenyl)ethylsulfamoyl]-3-methyl-1-benzofuran-2-carboxylic acid Traditional Name: 5-(homoveratrylsulfamoyl)-3-methyl-coumarilic acid Formula: C20H21NO7S MolecularWeight: 419.44824

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=C1C=C(C=C2)S(=O)(=O)NCCC3=CC(=C(C=C3)OC)OC)C(=O)O

Isomeric SMILES

CC1=C(OC2=C1C=C(C=C2)S(=O)(=O)NCCC3=CC(=C(C=C3)OC)OC)C(=O)O

InChI

InChI=1S/C20H21NO7S/c1-12-15-11-14(5-7-16(15)28-19(12)20(22)23)29(24,25)21-9-8-13-4-6-17(26-2)18(10-13)27-3/h4-7,10-11,21H,8-9H2,1-3H3,(H,22,23)