2-[[6-(carboxymethylsulfamoyl)-2-ethyl-7-methoxy-1-benzofuran-4-yl]sulfonylamino]ethanoic acid

Systemtic Name: 2-[[6-(carboxymethylsulfamoyl)-2-ethyl-7-methoxy-1-benzofuran-4-yl]sulfonylamino]ethanoic acid Openeye Name: 2-[[6-(carboxymethylsulfamoyl)-2-ethyl-7-methoxy-benzofuran-4-yl]sulfonylamino]acetic acid CAS Name: 2-[[6-(carboxymethylsulfamoyl)-2-ethyl-7-methoxy-4-benzofuranyl]sulfonylamino]acetic acid IUPAC Name: 2-[[6-(carboxymethylsulfamoyl)-2-ethyl-7-methoxy-1-benzofuran-4-yl]sulfonylamino]acetic acid Traditional Name: 2-[[6-(carboxymethylsulfamoyl)-2-ethyl-7-methoxy-benzofuran-4-yl]sulfonylamino]acetic acid Formula: C15H18N2O10S2 MolecularWeight: 450.44082

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(O1)C(=C(C=C2S(=O)(=O)NCC(=O)O)S(=O)(=O)NCC(=O)O)OC

Isomeric SMILES

CCC1=CC2=C(O1)C(=C(C=C2S(=O)(=O)NCC(=O)O)S(=O)(=O)NCC(=O)O)OC

InChI

InChI=1S/C15H18N2O10S2/c1-3-8-4-9-10(28(22,23)16-6-12(18)19)5-11(15(26-2)14(9)27-8)29(24,25)17-7-13(20)21/h4-5,16-17H,3,6-7H2,1-2H3,(H,18,19)(H,20,21)