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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H19N3O4S/c24-20(25)17-13-19(14-6-8-21-9-7-14)22-18-5-4-15(12-16(17)18)28(26,27)23-10-2-1-3-11-23/h4-9,12-13H,1-3,10-11H2,(H,24,25)