6-piperidin-1-ylsulfonyl-2-pyridin-3-yl-quinoline-4-carboxylic acid

Systemtic Name: 6-piperidin-1-ylsulfonyl-2-pyridin-3-yl-quinoline-4-carboxylic acid Openeye Name: 6-(1-piperidylsulfonyl)-2-(3-pyridyl)quinoline-4-carboxylic acid CAS Name: 6-(1-piperidinylsulfonyl)-2-(3-pyridinyl)-4-quinolinecarboxylic acid IUPAC Name: 6-piperidin-1-ylsulfonyl-2-pyridin-3-ylquinoline-4-carboxylic acid Traditional Name: 6-piperidinosulfonyl-2-(3-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=CN=CC=C4

Isomeric SMILES

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

InChI

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