ethyl 1-(4-methylsulfonylphenyl)carbonylpiperidine-3-carboxylate

Systemtic Name: ethyl 1-(4-methylsulfonylphenyl)carbonylpiperidine-3-carboxylate Openeye Name: ethyl 1-(4-methylsulfonylbenzoyl)piperidine-3-carboxylate CAS Name: 1-[(4-methylsulfonylphenyl)-oxomethyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(4-methylsulfonylbenzoyl)piperidine-3-carboxylate Traditional Name: 1-(4-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=C(C=C2)S(=O)(=O)C

Isomeric SMILES

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

InChI

InChI=1S/C16H21NO5S/c1-3-22-16(19)13-5-4-10-17(11-13)15(18)12-6-8-14(9-7-12)23(2,20)21/h6-9,13H,3-5,10-11H2,1-2H3