2-tert-butyl-6-piperidin-1-ylsulfonyl-quinoline-4-carboxylic acid

Systemtic Name: 2-tert-butyl-6-piperidin-1-ylsulfonyl-quinoline-4-carboxylic acid Openeye Name: 2-tert-butyl-6-(1-piperidylsulfonyl)quinoline-4-carboxylic acid CAS Name: 2-tert-butyl-6-(1-piperidinylsulfonyl)-4-quinolinecarboxylic acid IUPAC Name: 2-tert-butyl-6-piperidin-1-ylsulfonylquinoline-4-carboxylic acid Traditional Name: 2-tert-butyl-6-piperidinosulfonyl-cinchoninic acid Formula: C19H24N2O4S MolecularWeight: 376.46986

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NC2=C(C=C(C=C2)S(=O)(=O)N3CCCCC3)C(=C1)C(=O)O

Isomeric SMILES

CC(C)(C)C1=NC2=C(C=C(C=C2)S(=O)(=O)N3CCCCC3)C(=C1)C(=O)O

InChI

InChI=1S/C19H24N2O4S/c1-19(2,3)17-12-15(18(22)23)14-11-13(7-8-16(14)20-17)26(24,25)21-9-5-4-6-10-21/h7-8,11-12H,4-6,9-10H2,1-3H3,(H,22,23)