2-(4-chlorophenyl)-8-(4-methylsulfonylphenyl)-3-oxidanyl-quinoline-4-carboxylic acid

Systemtic Name: 2-(4-chlorophenyl)-8-(4-methylsulfonylphenyl)-3-oxidanyl-quinoline-4-carboxylic acid Openeye Name: 2-(4-chlorophenyl)-3-hydroxy-8-(4-methylsulfonylphenyl)quinoline-4-carboxylic acid CAS Name: 2-(4-chlorophenyl)-3-hydroxy-8-(4-methylsulfonylphenyl)-4-quinolinecarboxylic acid IUPAC Name: 2-(4-chlorophenyl)-3-hydroxy-8-(4-methylsulfonylphenyl)quinoline-4-carboxylic acid Traditional Name: 2-(4-chlorophenyl)-3-hydroxy-8-(4-mesylphenyl)cinchoninic acid Formula: C23H16ClNO5S MolecularWeight: 453.89484

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)C2=CC=CC3=C(C(=C(N=C32)C4=CC=C(C=C4)Cl)O)C(=O)O

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)C2=CC=CC3=C(C(=C(N=C32)C4=CC=C(C=C4)Cl)O)C(=O)O

InChI

InChI=1S/C23H16ClNO5S/c1-31(29,30)16-11-7-13(8-12-16)17-3-2-4-18-19(23(27)28)22(26)20(25-21(17)18)14-5-9-15(24)10-6-14/h2-12,26H,1H3,(H,27,28)