2-(4-methylsulfonylphenyl)-3-phenyl-quinoline-4-carboxylic acid

Systemtic Name: 2-(4-methylsulfonylphenyl)-3-phenyl-quinoline-4-carboxylic acid Openeye Name: 2-(4-methylsulfonylphenyl)-3-phenyl-quinoline-4-carboxylic acid CAS Name: 2-(4-methylsulfonylphenyl)-3-phenyl-4-quinolinecarboxylic acid IUPAC Name: 2-(4-methylsulfonylphenyl)-3-phenylquinoline-4-carboxylic acid Traditional Name: 2-(4-mesylphenyl)-3-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=CC=CC=C3C(=C2C4=CC=CC=C4)C(=O)O

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2C4=CC=CC=C4)C(=O)O

InChI

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