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

Systemtic Name: 8-methyl-2-(4-methylsulfonylphenyl)quinoline-4-carboxylic acid Openeye Name: 8-methyl-2-(4-methylsulfonylphenyl)quinoline-4-carboxylic acid CAS Name: 8-methyl-2-(4-methylsulfonylphenyl)-4-quinolinecarboxylic acid IUPAC Name: 8-methyl-2-(4-methylsulfonylphenyl)quinoline-4-carboxylic acid Traditional Name: 2-(4-mesylphenyl)-8-methyl-cinchoninic acid Formula: C18H15NO4S MolecularWeight: 341.381

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=C1N=C(C=C2C(=O)O)C3=CC=C(C=C3)S(=O)(=O)C

Isomeric SMILES

CC1=CC=CC2=C1N=C(C=C2C(=O)O)C3=CC=C(C=C3)S(=O)(=O)C

InChI

InChI=1S/C18H15NO4S/c1-11-4-3-5-14-15(18(20)21)10-16(19-17(11)14)12-6-8-13(9-7-12)24(2,22)23/h3-10H,1-2H3,(H,20,21)