3-[[3-(2-methoxyethoxycarbonyl)-2-methyl-1-benzofuran-5-yl]sulfamoyl]benzoic acid

Systemtic Name: 3-[[3-(2-methoxyethoxycarbonyl)-2-methyl-1-benzofuran-5-yl]sulfamoyl]benzoic acid Openeye Name: 3-[[3-(2-methoxyethoxycarbonyl)-2-methyl-benzofuran-5-yl]sulfamoyl]benzoic acid CAS Name: 3-[[3-[2-methoxyethoxy(oxo)methyl]-2-methyl-5-benzofuranyl]sulfamoyl]benzoic acid IUPAC Name: 3-[[3-(2-methoxyethoxycarbonyl)-2-methyl-1-benzofuran-5-yl]sulfamoyl]benzoic acid Traditional Name: 3-[[3-(2-methoxyethoxycarbonyl)-2-methyl-benzofuran-5-yl]sulfamoyl]benzoic acid Formula: C20H19NO8S MolecularWeight: 433.43176

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(O1)C=CC(=C2)NS(=O)(=O)C3=CC=CC(=C3)C(=O)O)C(=O)OCCOC

Isomeric SMILES

CC1=C(C2=C(O1)C=CC(=C2)NS(=O)(=O)C3=CC=CC(=C3)C(=O)O)C(=O)OCCOC

InChI

InChI=1S/C20H19NO8S/c1-12-18(20(24)28-9-8-27-2)16-11-14(6-7-17(16)29-12)21-30(25,26)15-5-3-4-13(10-15)19(22)23/h3-7,10-11,21H,8-9H2,1-2H3,(H,22,23)