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

Systemtic Name: 3-[(2-methyl-3-octoxycarbonyl-1-benzofuran-5-yl)sulfamoyl]benzoic acid Openeye Name: 3-[(2-methyl-3-octoxycarbonyl-benzofuran-5-yl)sulfamoyl]benzoic acid CAS Name: 3-[[2-methyl-3-[octoxy(oxo)methyl]-5-benzofuranyl]sulfamoyl]benzoic acid IUPAC Name: 3-[(2-methyl-3-octoxycarbonyl-1-benzofuran-5-yl)sulfamoyl]benzoic acid Traditional Name: 3-[(2-methyl-3-octoxycarbonyl-benzofuran-5-yl)sulfamoyl]benzoic acid Formula: C25H29NO7S MolecularWeight: 487.56526

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H29NO7S/c1-3-4-5-6-7-8-14-32-25(29)23-17(2)33-22-13-12-19(16-21(22)23)26-34(30,31)20-11-9-10-18(15-20)24(27)28/h9-13,15-16,26H,3-8,14H2,1-2H3,(H,27,28)