(6-chloranylpyridin-3-yl)methyl 1-(phenylsulfonyl)piperidine-2-carboxylate

Systemtic Name: (6-chloranylpyridin-3-yl)methyl 1-(phenylsulfonyl)piperidine-2-carboxylate Openeye Name: (6-chloro-3-pyridyl)methyl 1-(benzenesulfonyl)piperidine-2-carboxylate CAS Name: 1-(benzenesulfonyl)-2-piperidinecarboxylic acid (6-chloro-3-pyridinyl)methyl ester IUPAC Name: (6-chloropyridin-3-yl)methyl 1-(benzenesulfonyl)piperidine-2-carboxylate Traditional Name: 1-besylpipecolinic acid (6-chloro-3-pyridyl)methyl ester Formula: C18H19ClN2O4S MolecularWeight: 394.87246

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(C1)C(=O)OCC2=CN=C(C=C2)Cl)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

C1CCN(C(C1)C(=O)OCC2=CN=C(C=C2)Cl)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C18H19ClN2O4S/c19-17-10-9-14(12-20-17)13-25-18(22)16-8-4-5-11-21(16)26(23,24)15-6-2-1-3-7-15/h1-3,6-7,9-10,12,16H,4-5,8,11,13H2