5-(1,3-benzodioxol-5-ylmethylsulfamoyl)-3-methyl-1-benzofuran-2-carboxylic acid

Systemtic Name: 5-(1,3-benzodioxol-5-ylmethylsulfamoyl)-3-methyl-1-benzofuran-2-carboxylic acid Openeye Name: 5-(1,3-benzodioxol-5-ylmethylsulfamoyl)-3-methyl-benzofuran-2-carboxylic acid CAS Name: 5-(1,3-benzodioxol-5-ylmethylsulfamoyl)-3-methyl-2-benzofurancarboxylic acid IUPAC Name: 5-(1,3-benzodioxol-5-ylmethylsulfamoyl)-3-methyl-1-benzofuran-2-carboxylic acid Traditional Name: 3-methyl-5-(piperonylsulfamoyl)coumarilic acid Formula: C18H15NO7S MolecularWeight: 389.3792

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=C1C=C(C=C2)S(=O)(=O)NCC3=CC4=C(C=C3)OCO4)C(=O)O

Isomeric SMILES

CC1=C(OC2=C1C=C(C=C2)S(=O)(=O)NCC3=CC4=C(C=C3)OCO4)C(=O)O

InChI

InChI=1S/C18H15NO7S/c1-10-13-7-12(3-5-14(13)26-17(10)18(20)21)27(22,23)19-8-11-2-4-15-16(6-11)25-9-24-15/h2-7,19H,8-9H2,1H3,(H,20,21)