(2-chloranyl-7-methoxy-quinolin-3-yl)methyl 1-pyridin-3-ylsulfonylpiperidine-4-carboxylate

Systemtic Name: (2-chloranyl-7-methoxy-quinolin-3-yl)methyl 1-pyridin-3-ylsulfonylpiperidine-4-carboxylate Openeye Name: (2-chloro-7-methoxy-3-quinolyl)methyl 1-(3-pyridylsulfonyl)piperidine-4-carboxylate CAS Name: 1-(3-pyridinylsulfonyl)-4-piperidinecarboxylic acid (2-chloro-7-methoxy-3-quinolinyl)methyl ester IUPAC Name: (2-chloro-7-methoxyquinolin-3-yl)methyl 1-pyridin-3-ylsulfonylpiperidine-4-carboxylate Traditional Name: 1-(3-pyridylsulfonyl)isonipecotic acid (2-chloro-7-methoxy-3-quinolyl)methyl ester Formula: C22H22ClN3O5S MolecularWeight: 475.94518

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=NC(=C(C=C2C=C1)COC(=O)C3CCN(CC3)S(=O)(=O)C4=CN=CC=C4)Cl

Isomeric SMILES

COC1=CC2=NC(=C(C=C2C=C1)COC(=O)C3CCN(CC3)S(=O)(=O)C4=CN=CC=C4)Cl

InChI

InChI=1S/C22H22ClN3O5S/c1-30-18-5-4-16-11-17(21(23)25-20(16)12-18)14-31-22(27)15-6-9-26(10-7-15)32(28,29)19-3-2-8-24-13-19/h2-5,8,11-13,15H,6-7,9-10,14H2,1H3