pyridin-3-ylmethyl 1-(4-ethoxyphenyl)sulfonylpiperidine-4-carboxylate

Systemtic Name: pyridin-3-ylmethyl 1-(4-ethoxyphenyl)sulfonylpiperidine-4-carboxylate Openeye Name: 3-pyridylmethyl 1-(4-ethoxyphenyl)sulfonylpiperidine-4-carboxylate CAS Name: 1-(4-ethoxyphenyl)sulfonyl-4-piperidinecarboxylic acid 3-pyridinylmethyl ester IUPAC Name: pyridin-3-ylmethyl 1-(4-ethoxyphenyl)sulfonylpiperidine-4-carboxylate Traditional Name: 1-p-phenetylsulfonylisonipecotic acid 3-pyridylmethyl ester Formula: C20H24N2O5S MolecularWeight: 404.47996

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)OCC3=CN=CC=C3

Isomeric SMILES

CCOC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)OCC3=CN=CC=C3

InChI

InChI=1S/C20H24N2O5S/c1-2-26-18-5-7-19(8-6-18)28(24,25)22-12-9-17(10-13-22)20(23)27-15-16-4-3-11-21-14-16/h3-8,11,14,17H,2,9-10,12-13,15H2,1H3