6-(diethylsulfamoyl)-2-(4-methylsulfanylphenyl)quinoline-4-carboxylic acid

Systemtic Name: 6-(diethylsulfamoyl)-2-(4-methylsulfanylphenyl)quinoline-4-carboxylic acid Openeye Name: 6-(diethylsulfamoyl)-2-(4-methylsulfanylphenyl)quinoline-4-carboxylic acid CAS Name: 6-(diethylsulfamoyl)-2-[4-(methylthio)phenyl]-4-quinolinecarboxylic acid IUPAC Name: 6-(diethylsulfamoyl)-2-(4-methylsulfanylphenyl)quinoline-4-carboxylic acid Traditional Name: 6-(diethylsulfamoyl)-2-[4-(methylthio)phenyl]cinchoninic acid Formula: C21H22N2O4S2 MolecularWeight: 430.54038

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC2=C(C=C1)N=C(C=C2C(=O)O)C3=CC=C(C=C3)SC

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC2=C(C=C1)N=C(C=C2C(=O)O)C3=CC=C(C=C3)SC

InChI

InChI=1S/C21H22N2O4S2/c1-4-23(5-2)29(26,27)16-10-11-19-17(12-16)18(21(24)25)13-20(22-19)14-6-8-15(28-3)9-7-14/h6-13H,4-5H2,1-3H3,(H,24,25)