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

Systemtic Name: 3-[(3-ethoxycarbonyl-2-propyl-1-benzofuran-5-yl)sulfamoyl]benzoic acid Openeye Name: 3-[(3-ethoxycarbonyl-2-propyl-benzofuran-5-yl)sulfamoyl]benzoic acid CAS Name: 3-[(3-ethoxycarbonyl-2-propyl-5-benzofuranyl)sulfamoyl]benzoic acid IUPAC Name: 3-[(3-ethoxycarbonyl-2-propyl-1-benzofuran-5-yl)sulfamoyl]benzoic acid Traditional Name: 3-[(3-carbethoxy-2-propyl-benzofuran-5-yl)sulfamoyl]benzoic acid Formula: C21H21NO7S MolecularWeight: 431.45894

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21NO7S/c1-3-6-18-19(21(25)28-4-2)16-12-14(9-10-17(16)29-18)22-30(26,27)15-8-5-7-13(11-15)20(23)24/h5,7-12,22H,3-4,6H2,1-2H3,(H,23,24)