ethyl 1-[2-(phenylsulfonyl)ethanoyl]piperidine-3-carboxylate

Systemtic Name: ethyl 1-[2-(phenylsulfonyl)ethanoyl]piperidine-3-carboxylate Openeye Name: ethyl 1-[2-(benzenesulfonyl)acetyl]piperidine-3-carboxylate CAS Name: 1-[2-(benzenesulfonyl)-1-oxoethyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-(benzenesulfonyl)acetyl]piperidine-3-carboxylate Traditional Name: 1-(2-besylacetyl)nipecotic acid ethyl ester Formula: C16H21NO5S MolecularWeight: 339.40664

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)C(=O)CS(=O)(=O)C2=CC=CC=C2

Isomeric SMILES

CCOC(=O)C1CCCN(C1)C(=O)CS(=O)(=O)C2=CC=CC=C2

InChI

InChI=1S/C16H21NO5S/c1-2-22-16(19)13-7-6-10-17(11-13)15(18)12-23(20,21)14-8-4-3-5-9-14/h3-5,8-9,13H,2,6-7,10-12H2,1H3