(5-chloranyl-2-methoxy-phenyl)methyl 1-pyridin-3-ylsulfonylpiperidine-4-carboxylate

Systemtic Name: (5-chloranyl-2-methoxy-phenyl)methyl 1-pyridin-3-ylsulfonylpiperidine-4-carboxylate Openeye Name: (5-chloro-2-methoxy-phenyl)methyl 1-(3-pyridylsulfonyl)piperidine-4-carboxylate CAS Name: 1-(3-pyridinylsulfonyl)-4-piperidinecarboxylic acid (5-chloro-2-methoxyphenyl)methyl ester IUPAC Name: (5-chloro-2-methoxyphenyl)methyl 1-pyridin-3-ylsulfonylpiperidine-4-carboxylate Traditional Name: 1-(3-pyridylsulfonyl)isonipecotic acid (5-chloro-2-methoxy-benzyl) ester Formula: C19H21ClN2O5S MolecularWeight: 424.89844

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Cl)COC(=O)C2CCN(CC2)S(=O)(=O)C3=CN=CC=C3

Isomeric SMILES

COC1=C(C=C(C=C1)Cl)COC(=O)C2CCN(CC2)S(=O)(=O)C3=CN=CC=C3

InChI

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