2-[2,5-bis(chloranyl)thiophen-3-yl]-6-(diethylsulfamoyl)quinoline-4-carboxylic acid

Systemtic Name: 2-[2,5-bis(chloranyl)thiophen-3-yl]-6-(diethylsulfamoyl)quinoline-4-carboxylic acid Openeye Name: 2-(2,5-dichloro-3-thienyl)-6-(diethylsulfamoyl)quinoline-4-carboxylic acid CAS Name: 2-(2,5-dichloro-3-thiophenyl)-6-(diethylsulfamoyl)-4-quinolinecarboxylic acid IUPAC Name: 2-(2,5-dichlorothiophen-3-yl)-6-(diethylsulfamoyl)quinoline-4-carboxylic acid Traditional Name: 2-(2,5-dichloro-3-thienyl)-6-(diethylsulfamoyl)cinchoninic acid Formula: C18H16Cl2N2O4S2 MolecularWeight: 459.36664

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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(SC(=C3)Cl)Cl

Isomeric SMILES

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

InChI

InChI=1S/C18H16Cl2N2O4S2/c1-3-22(4-2)28(25,26)10-5-6-14-11(7-10)12(18(23)24)8-15(21-14)13-9-16(19)27-17(13)20/h5-9H,3-4H2,1-2H3,(H,23,24)