6-piperidin-1-ylsulfonyl-2-pyridin-2-yl-quinoline-4-carboxylic acid

Systemtic Name: 6-piperidin-1-ylsulfonyl-2-pyridin-2-yl-quinoline-4-carboxylic acid Openeye Name: 6-(1-piperidylsulfonyl)-2-(2-pyridyl)quinoline-4-carboxylic acid CAS Name: 6-(1-piperidinylsulfonyl)-2-(2-pyridinyl)-4-quinolinecarboxylic acid IUPAC Name: 6-piperidin-1-ylsulfonyl-2-pyridin-2-ylquinoline-4-carboxylic acid Traditional Name: 6-piperidinosulfonyl-2-(2-pyridyl)cinchoninic acid Formula: C20H19N3O4S MolecularWeight: 397.44756

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CC3=C(C=C2)N=C(C=C3C(=O)O)C4=CC=CC=N4

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC3=C(C=C2)N=C(C=C3C(=O)O)C4=CC=CC=N4

InChI

InChI=1S/C20H19N3O4S/c24-20(25)16-13-19(18-6-2-3-9-21-18)22-17-8-7-14(12-15(16)17)28(26,27)23-10-4-1-5-11-23/h2-3,6-9,12-13H,1,4-5,10-11H2,(H,24,25)