1-(6-piperidin-1-ylsulfonylquinolin-2-yl)piperidine-3-carboxylic acid

Systemtic Name: 1-(6-piperidin-1-ylsulfonylquinolin-2-yl)piperidine-3-carboxylic acid Openeye Name: 1-[6-(1-piperidylsulfonyl)-2-quinolyl]piperidine-3-carboxylic acid CAS Name: 1-[6-(1-piperidinylsulfonyl)-2-quinolinyl]-3-piperidinecarboxylic acid IUPAC Name: 1-(6-piperidin-1-ylsulfonylquinolin-2-yl)piperidine-3-carboxylic acid Traditional Name: 1-(6-piperidinosulfonyl-2-quinolyl)nipecotic acid Formula: C20H25N3O4S MolecularWeight: 403.4952

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CC3=C(C=C2)N=C(C=C3)N4CCCC(C4)C(=O)O

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC3=C(C=C2)N=C(C=C3)N4CCCC(C4)C(=O)O

InChI

InChI=1S/C20H25N3O4S/c24-20(25)16-5-4-10-22(14-16)19-9-6-15-13-17(7-8-18(15)21-19)28(26,27)23-11-2-1-3-12-23/h6-9,13,16H,1-5,10-12,14H2,(H,24,25)