2-(5-chloranyl-2-methoxy-phenyl)-6-(diethylsulfamoyl)quinoline-4-carboxylic acid

Systemtic Name: 2-(5-chloranyl-2-methoxy-phenyl)-6-(diethylsulfamoyl)quinoline-4-carboxylic acid Openeye Name: 2-(5-chloro-2-methoxy-phenyl)-6-(diethylsulfamoyl)quinoline-4-carboxylic acid CAS Name: 2-(5-chloro-2-methoxyphenyl)-6-(diethylsulfamoyl)-4-quinolinecarboxylic acid IUPAC Name: 2-(5-chloro-2-methoxyphenyl)-6-(diethylsulfamoyl)quinoline-4-carboxylic acid Traditional Name: 2-(5-chloro-2-methoxy-phenyl)-6-(diethylsulfamoyl)cinchoninic acid Formula: C21H21ClN2O5S MolecularWeight: 448.91984

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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=C(C=CC(=C3)Cl)OC

Isomeric SMILES

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

InChI

InChI=1S/C21H21ClN2O5S/c1-4-24(5-2)30(27,28)14-7-8-18-15(11-14)16(21(25)26)12-19(23-18)17-10-13(22)6-9-20(17)29-3/h6-12H,4-5H2,1-3H3,(H,25,26)