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

Systemtic Name: 5-[(2-methyl-3-nonoxycarbonyl-1-benzofuran-5-yl)sulfamoyl]-2-oxidanyl-benzoic acid Openeye Name: 2-hydroxy-5-[(2-methyl-3-nonoxycarbonyl-benzofuran-5-yl)sulfamoyl]benzoic acid CAS Name: 2-hydroxy-5-[[2-methyl-3-[nonoxy(oxo)methyl]-5-benzofuranyl]sulfamoyl]benzoic acid IUPAC Name: 2-hydroxy-5-[(2-methyl-3-nonoxycarbonyl-1-benzofuran-5-yl)sulfamoyl]benzoic acid Traditional Name: 2-hydroxy-5-[(2-methyl-3-nonoxycarbonyl-benzofuran-5-yl)sulfamoyl]benzoic acid Formula: C26H31NO8S MolecularWeight: 517.59124

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H31NO8S/c1-3-4-5-6-7-8-9-14-34-26(31)24-17(2)35-23-13-10-18(15-21(23)24)27-36(32,33)19-11-12-22(28)20(16-19)25(29)30/h10-13,15-16,27-28H,3-9,14H2,1-2H3,(H,29,30)