2-(4-butylsulfonylphenyl)quinoline-4-carboxylic acid

Systemtic Name: 2-(4-butylsulfonylphenyl)quinoline-4-carboxylic acid Openeye Name: 2-(4-butylsulfonylphenyl)quinoline-4-carboxylic acid CAS Name: 2-(4-butylsulfonylphenyl)-4-quinolinecarboxylic acid IUPAC Name: 2-(4-butylsulfonylphenyl)quinoline-4-carboxylic acid Traditional Name: 2-(4-butylsulfonylphenyl)cinchoninic acid Formula: C20H19NO4S MolecularWeight: 369.43416

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Descriptors Computed from Structure

Canonical SMILES:

CCCCS(=O)(=O)C1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)O

Isomeric SMILES

CCCCS(=O)(=O)C1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)O

InChI

InChI=1S/C20H19NO4S/c1-2-3-12-26(24,25)15-10-8-14(9-11-15)19-13-17(20(22)23)16-6-4-5-7-18(16)21-19/h4-11,13H,2-3,12H2,1H3,(H,22,23)