ethyl 1-(3-methylsulfonylphenyl)carbonylpiperidine-3-carboxylate

Systemtic Name: ethyl 1-(3-methylsulfonylphenyl)carbonylpiperidine-3-carboxylate Openeye Name: ethyl 1-(3-methylsulfonylbenzoyl)piperidine-3-carboxylate CAS Name: 1-[(3-methylsulfonylphenyl)-oxomethyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(3-methylsulfonylbenzoyl)piperidine-3-carboxylate Traditional Name: 1-(3-mesylbenzoyl)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)C2=CC(=CC=C2)S(=O)(=O)C

Isomeric SMILES

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

InChI

InChI=1S/C16H21NO5S/c1-3-22-16(19)13-7-5-9-17(11-13)15(18)12-6-4-8-14(10-12)23(2,20)21/h4,6,8,10,13H,3,5,7,9,11H2,1-2H3