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

Systemtic Name: 5-[(2-methyl-3-pentoxycarbonyl-1-benzofuran-5-yl)sulfamoyl]-2-oxidanyl-benzoic acid Openeye Name: 2-hydroxy-5-[(2-methyl-3-pentoxycarbonyl-benzofuran-5-yl)sulfamoyl]benzoic acid CAS Name: 2-hydroxy-5-[[2-methyl-3-[oxo(pentoxy)methyl]-5-benzofuranyl]sulfamoyl]benzoic acid IUPAC Name: 2-hydroxy-5-[(2-methyl-3-pentoxycarbonyl-1-benzofuran-5-yl)sulfamoyl]benzoic acid Traditional Name: 5-[(3-amoxycarbonyl-2-methyl-benzofuran-5-yl)sulfamoyl]-2-hydroxy-benzoic acid Formula: C22H23NO8S MolecularWeight: 461.48492

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H23NO8S/c1-3-4-5-10-30-22(27)20-13(2)31-19-9-6-14(11-17(19)20)23-32(28,29)15-7-8-18(24)16(12-15)21(25)26/h6-9,11-12,23-24H,3-5,10H2,1-2H3,(H,25,26)