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

Systemtic Name: 3-[(2-methyl-3-propoxycarbonyl-1-benzofuran-5-yl)sulfamoyl]benzoic acid Openeye Name: 3-[(2-methyl-3-propoxycarbonyl-benzofuran-5-yl)sulfamoyl]benzoic acid CAS Name: 3-[[2-methyl-3-[oxo(propoxy)methyl]-5-benzofuranyl]sulfamoyl]benzoic acid IUPAC Name: 3-[(2-methyl-3-propoxycarbonyl-1-benzofuran-5-yl)sulfamoyl]benzoic acid Traditional Name: 3-[(2-methyl-3-propoxycarbonyl-benzofuran-5-yl)sulfamoyl]benzoic acid Formula: C20H19NO7S MolecularWeight: 417.43236

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)C1=C(OC2=C1C=C(C=C2)NS(=O)(=O)C3=CC=CC(=C3)C(=O)O)C

Isomeric SMILES

CCCOC(=O)C1=C(OC2=C1C=C(C=C2)NS(=O)(=O)C3=CC=CC(=C3)C(=O)O)C

InChI

InChI=1S/C20H19NO7S/c1-3-9-27-20(24)18-12(2)28-17-8-7-14(11-16(17)18)21-29(25,26)15-6-4-5-13(10-15)19(22)23/h4-8,10-11,21H,3,9H2,1-2H3,(H,22,23)