2-(4-methylsulfonylphenyl)-8-phenyl-quinoline-4-carboxylic acid

Systemtic Name: 2-(4-methylsulfonylphenyl)-8-phenyl-quinoline-4-carboxylic acid Openeye Name: 2-(4-methylsulfonylphenyl)-8-phenyl-quinoline-4-carboxylic acid CAS Name: 2-(4-methylsulfonylphenyl)-8-phenyl-4-quinolinecarboxylic acid IUPAC Name: 2-(4-methylsulfonylphenyl)-8-phenylquinoline-4-carboxylic acid Traditional Name: 2-(4-mesylphenyl)-8-phenyl-cinchoninic acid Formula: C23H17NO4S MolecularWeight: 403.45038

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)C2=NC3=C(C=CC=C3C4=CC=CC=C4)C(=C2)C(=O)O

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)C2=NC3=C(C=CC=C3C4=CC=CC=C4)C(=C2)C(=O)O

InChI

InChI=1S/C23H17NO4S/c1-29(27,28)17-12-10-16(11-13-17)21-14-20(23(25)26)19-9-5-8-18(22(19)24-21)15-6-3-2-4-7-15/h2-14H,1H3,(H,25,26)