5-[(3-ethoxycarbonyl-2-propyl-1-benzofuran-5-yl)sulfamoyl]-2-oxidanyl-benzoic acid

Systemtic Name: 5-[(3-ethoxycarbonyl-2-propyl-1-benzofuran-5-yl)sulfamoyl]-2-oxidanyl-benzoic acid Openeye Name: 5-[(3-ethoxycarbonyl-2-propyl-benzofuran-5-yl)sulfamoyl]-2-hydroxy-benzoic acid CAS Name: 5-[(3-ethoxycarbonyl-2-propyl-5-benzofuranyl)sulfamoyl]-2-hydroxybenzoic acid IUPAC Name: 5-[(3-ethoxycarbonyl-2-propyl-1-benzofuran-5-yl)sulfamoyl]-2-hydroxybenzoic acid Traditional Name: 5-[(3-carbethoxy-2-propyl-benzofuran-5-yl)sulfamoyl]-2-hydroxy-benzoic acid Formula: C21H21NO8S MolecularWeight: 447.45834

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C2=C(O1)C=CC(=C2)NS(=O)(=O)C3=CC(=C(C=C3)O)C(=O)O)C(=O)OCC

Isomeric SMILES

CCCC1=C(C2=C(O1)C=CC(=C2)NS(=O)(=O)C3=CC(=C(C=C3)O)C(=O)O)C(=O)OCC

InChI

InChI=1S/C21H21NO8S/c1-3-5-18-19(21(26)29-4-2)15-10-12(6-9-17(15)30-18)22-31(27,28)13-7-8-16(23)14(11-13)20(24)25/h6-11,22-23H,3-5H2,1-2H3,(H,24,25)