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

Systemtic Name: 3-[(3-heptoxycarbonyl-2-methyl-1-benzofuran-5-yl)sulfamoyl]benzoic acid Openeye Name: 3-[(3-heptoxycarbonyl-2-methyl-benzofuran-5-yl)sulfamoyl]benzoic acid CAS Name: 3-[[3-[heptoxy(oxo)methyl]-2-methyl-5-benzofuranyl]sulfamoyl]benzoic acid IUPAC Name: 3-[(3-heptoxycarbonyl-2-methyl-1-benzofuran-5-yl)sulfamoyl]benzoic acid Traditional Name: 3-[(3-heptoxycarbonyl-2-methyl-benzofuran-5-yl)sulfamoyl]benzoic acid Formula: C24H27NO7S MolecularWeight: 473.53868

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H27NO7S/c1-3-4-5-6-7-13-31-24(28)22-16(2)32-21-12-11-18(15-20(21)22)25-33(29,30)19-10-8-9-17(14-19)23(26)27/h8-12,14-15,25H,3-7,13H2,1-2H3,(H,26,27)