6-(dimethylsulfamoyl)-2-(5-methoxy-1-benzofuran-2-yl)quinoline-4-carboxylic acid

Systemtic Name: 6-(dimethylsulfamoyl)-2-(5-methoxy-1-benzofuran-2-yl)quinoline-4-carboxylic acid Openeye Name: 6-(dimethylsulfamoyl)-2-(5-methoxybenzofuran-2-yl)quinoline-4-carboxylic acid CAS Name: 6-(dimethylsulfamoyl)-2-(5-methoxy-2-benzofuranyl)-4-quinolinecarboxylic acid IUPAC Name: 6-(dimethylsulfamoyl)-2-(5-methoxy-1-benzofuran-2-yl)quinoline-4-carboxylic acid Traditional Name: 6-(dimethylsulfamoyl)-2-(5-methoxybenzofuran-2-yl)cinchoninic acid Formula: C21H18N2O6S MolecularWeight: 426.44242

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)S(=O)(=O)C1=CC2=C(C=C1)N=C(C=C2C(=O)O)C3=CC4=C(O3)C=CC(=C4)OC

Isomeric SMILES

CN(C)S(=O)(=O)C1=CC2=C(C=C1)N=C(C=C2C(=O)O)C3=CC4=C(O3)C=CC(=C4)OC

InChI

InChI=1S/C21H18N2O6S/c1-23(2)30(26,27)14-5-6-17-15(10-14)16(21(24)25)11-18(22-17)20-9-12-8-13(28-3)4-7-19(12)29-20/h4-11H,1-3H3,(H,24,25)