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

Systemtic Name: 5-[(2-methyl-3-octoxycarbonyl-1-benzofuran-5-yl)sulfamoyl]-2-oxidanyl-benzoic acid Openeye Name: 2-hydroxy-5-[(2-methyl-3-octoxycarbonyl-benzofuran-5-yl)sulfamoyl]benzoic acid CAS Name: 2-hydroxy-5-[[2-methyl-3-[octoxy(oxo)methyl]-5-benzofuranyl]sulfamoyl]benzoic acid IUPAC Name: 2-hydroxy-5-[(2-methyl-3-octoxycarbonyl-1-benzofuran-5-yl)sulfamoyl]benzoic acid Traditional Name: 2-hydroxy-5-[(2-methyl-3-octoxycarbonyl-benzofuran-5-yl)sulfamoyl]benzoic acid Formula: C25H29NO8S MolecularWeight: 503.56466

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H29NO8S/c1-3-4-5-6-7-8-13-33-25(30)23-16(2)34-22-12-9-17(14-20(22)23)26-35(31,32)18-10-11-21(27)19(15-18)24(28)29/h9-12,14-15,26-27H,3-8,13H2,1-2H3,(H,28,29)