ethyl 3-[(3-methoxyphenyl)methyl]-1-pyridin-3-ylsulfonyl-piperidine-3-carboxylate

Systemtic Name: ethyl 3-[(3-methoxyphenyl)methyl]-1-pyridin-3-ylsulfonyl-piperidine-3-carboxylate Openeye Name: ethyl 3-[(3-methoxyphenyl)methyl]-1-(3-pyridylsulfonyl)piperidine-3-carboxylate CAS Name: 3-[(3-methoxyphenyl)methyl]-1-(3-pyridinylsulfonyl)-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 3-[(3-methoxyphenyl)methyl]-1-pyridin-3-ylsulfonylpiperidine-3-carboxylate Traditional Name: 3-m-anisyl-1-(3-pyridylsulfonyl)nipecotic acid ethyl ester Formula: C21H26N2O5S MolecularWeight: 418.50654

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCCN(C1)S(=O)(=O)C2=CN=CC=C2)CC3=CC(=CC=C3)OC

Isomeric SMILES

CCOC(=O)C1(CCCN(C1)S(=O)(=O)C2=CN=CC=C2)CC3=CC(=CC=C3)OC

InChI

InChI=1S/C21H26N2O5S/c1-3-28-20(24)21(14-17-7-4-8-18(13-17)27-2)10-6-12-23(16-21)29(25,26)19-9-5-11-22-15-19/h4-5,7-9,11,13,15H,3,6,10,12,14,16H2,1-2H3