ethyl 3-(phenylmethyl)-1-pyridin-3-ylsulfonyl-piperidine-3-carboxylate

Systemtic Name: ethyl 3-(phenylmethyl)-1-pyridin-3-ylsulfonyl-piperidine-3-carboxylate Openeye Name: ethyl 3-benzyl-1-(3-pyridylsulfonyl)piperidine-3-carboxylate CAS Name: 3-(phenylmethyl)-1-(3-pyridinylsulfonyl)-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 3-benzyl-1-pyridin-3-ylsulfonylpiperidine-3-carboxylate Traditional Name: 3-benzyl-1-(3-pyridylsulfonyl)nipecotic acid ethyl ester Formula: C20H24N2O4S MolecularWeight: 388.48056

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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

Isomeric SMILES

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

InChI

InChI=1S/C20H24N2O4S/c1-2-26-19(23)20(14-17-8-4-3-5-9-17)11-7-13-22(16-20)27(24,25)18-10-6-12-21-15-18/h3-6,8-10,12,15H,2,7,11,13-14,16H2,1H3