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

Systemtic Name: 1-(6-pyrrolidin-1-ylsulfonylquinolin-2-yl)piperidine-3-carboxylic acid Openeye Name: 1-(6-pyrrolidin-1-ylsulfonyl-2-quinolyl)piperidine-3-carboxylic acid CAS Name: 1-[6-(1-pyrrolidinylsulfonyl)-2-quinolinyl]-3-piperidinecarboxylic acid IUPAC Name: 1-(6-pyrrolidin-1-ylsulfonylquinolin-2-yl)piperidine-3-carboxylic acid Traditional Name: 1-(6-pyrrolidinosulfonyl-2-quinolyl)nipecotic acid Formula: C19H23N3O4S MolecularWeight: 389.46862

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC3=C(C=C2)N=C(C=C3)N4CCCC(C4)C(=O)O

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC3=C(C=C2)N=C(C=C3)N4CCCC(C4)C(=O)O

InChI

InChI=1S/C19H23N3O4S/c23-19(24)15-4-3-9-21(13-15)18-8-5-14-12-16(6-7-17(14)20-18)27(25,26)22-10-1-2-11-22/h5-8,12,15H,1-4,9-11,13H2,(H,23,24)