2-(4-tert-butylphenyl)-6-piperidin-1-ylsulfonyl-quinoline-4-carboxylic acid

Systemtic Name: 2-(4-tert-butylphenyl)-6-piperidin-1-ylsulfonyl-quinoline-4-carboxylic acid Openeye Name: 2-(4-tert-butylphenyl)-6-(1-piperidylsulfonyl)quinoline-4-carboxylic acid CAS Name: 2-(4-tert-butylphenyl)-6-(1-piperidinylsulfonyl)-4-quinolinecarboxylic acid IUPAC Name: 2-(4-tert-butylphenyl)-6-piperidin-1-ylsulfonylquinoline-4-carboxylic acid Traditional Name: 2-(4-tert-butylphenyl)-6-piperidinosulfonyl-cinchoninic acid Formula: C25H28N2O4S MolecularWeight: 452.56582

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(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)(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/C25H28N2O4S/c1-25(2,3)18-9-7-17(8-10-18)23-16-21(24(28)29)20-15-19(11-12-22(20)26-23)32(30,31)27-13-5-4-6-14-27/h7-12,15-16H,4-6,13-14H2,1-3H3,(H,28,29)