6-piperidin-1-ylsulfonyl-2-(4-propan-2-ylphenyl)quinoline-4-carboxylic acid

Systemtic Name: 6-piperidin-1-ylsulfonyl-2-(4-propan-2-ylphenyl)quinoline-4-carboxylic acid Openeye Name: 2-(4-isopropylphenyl)-6-(1-piperidylsulfonyl)quinoline-4-carboxylic acid CAS Name: 6-(1-piperidinylsulfonyl)-2-(4-propan-2-ylphenyl)-4-quinolinecarboxylic acid IUPAC Name: 6-piperidin-1-ylsulfonyl-2-(4-propan-2-ylphenyl)quinoline-4-carboxylic acid Traditional Name: 2-p-cumenyl-6-piperidinosulfonyl-cinchoninic acid Formula: C24H26N2O4S MolecularWeight: 438.53924

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)C2=NC3=C(C=C(C=C3)S(=O)(=O)N4CCCCC4)C(=C2)C(=O)O

Isomeric SMILES

CC(C)C1=CC=C(C=C1)C2=NC3=C(C=C(C=C3)S(=O)(=O)N4CCCCC4)C(=C2)C(=O)O

InChI

InChI=1S/C24H26N2O4S/c1-16(2)17-6-8-18(9-7-17)23-15-21(24(27)28)20-14-19(10-11-22(20)25-23)31(29,30)26-12-4-3-5-13-26/h6-11,14-16H,3-5,12-13H2,1-2H3,(H,27,28)