(2-chloranylquinolin-3-yl)methyl 1-pyridin-3-ylsulfonylpiperidine-4-carboxylate

Systemtic Name: (2-chloranylquinolin-3-yl)methyl 1-pyridin-3-ylsulfonylpiperidine-4-carboxylate Openeye Name: (2-chloro-3-quinolyl)methyl 1-(3-pyridylsulfonyl)piperidine-4-carboxylate CAS Name: 1-(3-pyridinylsulfonyl)-4-piperidinecarboxylic acid (2-chloro-3-quinolinyl)methyl ester IUPAC Name: (2-chloroquinolin-3-yl)methyl 1-pyridin-3-ylsulfonylpiperidine-4-carboxylate Traditional Name: 1-(3-pyridylsulfonyl)isonipecotic acid (2-chloro-3-quinolyl)methyl ester Formula: C21H20ClN3O4S MolecularWeight: 445.9192

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)OCC2=CC3=CC=CC=C3N=C2Cl)S(=O)(=O)C4=CN=CC=C4

Isomeric SMILES

C1CN(CCC1C(=O)OCC2=CC3=CC=CC=C3N=C2Cl)S(=O)(=O)C4=CN=CC=C4

InChI

InChI=1S/C21H20ClN3O4S/c22-20-17(12-16-4-1-2-6-19(16)24-20)14-29-21(26)15-7-10-25(11-8-15)30(27,28)18-5-3-9-23-13-18/h1-6,9,12-13,15H,7-8,10-11,14H2