(6-chloranylpyridin-3-yl)methyl 1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxylate

Systemtic Name: (6-chloranylpyridin-3-yl)methyl 1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxylate Openeye Name: (6-chloro-3-pyridyl)methyl 1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxylate CAS Name: 1-(4-methoxyphenyl)sulfonyl-4-piperidinecarboxylic acid (6-chloro-3-pyridinyl)methyl ester IUPAC Name: (6-chloropyridin-3-yl)methyl 1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxylate Traditional Name: 1-(4-methoxyphenyl)sulfonylisonipecotic acid (6-chloro-3-pyridyl)methyl ester Formula: C19H21ClN2O5S MolecularWeight: 424.89844

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)OCC3=CN=C(C=C3)Cl

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)OCC3=CN=C(C=C3)Cl

InChI

InChI=1S/C19H21ClN2O5S/c1-26-16-3-5-17(6-4-16)28(24,25)22-10-8-15(9-11-22)19(23)27-13-14-2-7-18(20)21-12-14/h2-7,12,15H,8-11,13H2,1H3