6-(dimethylsulfamoyl)-2-(7-methoxy-1-benzofuran-2-yl)quinoline-4-carboxylic acid

Systemtic Name: 6-(dimethylsulfamoyl)-2-(7-methoxy-1-benzofuran-2-yl)quinoline-4-carboxylic acid Openeye Name: 6-(dimethylsulfamoyl)-2-(7-methoxybenzofuran-2-yl)quinoline-4-carboxylic acid CAS Name: 6-(dimethylsulfamoyl)-2-(7-methoxy-2-benzofuranyl)-4-quinolinecarboxylic acid IUPAC Name: 6-(dimethylsulfamoyl)-2-(7-methoxy-1-benzofuran-2-yl)quinoline-4-carboxylic acid Traditional Name: 6-(dimethylsulfamoyl)-2-(7-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)13-7-8-16-14(10-13)15(21(24)25)11-17(22-16)19-9-12-5-4-6-18(28-3)20(12)29-19/h4-11H,1-3H3,(H,24,25)