ethyl 1-[4-(methylsulfonylmethyl)phenyl]carbonylpiperidine-4-carboxylate

Systemtic Name: ethyl 1-[4-(methylsulfonylmethyl)phenyl]carbonylpiperidine-4-carboxylate Openeye Name: ethyl 1-[4-(methylsulfonylmethyl)benzoyl]piperidine-4-carboxylate CAS Name: 1-[[4-(methylsulfonylmethyl)phenyl]-oxomethyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[4-(methylsulfonylmethyl)benzoyl]piperidine-4-carboxylate Traditional Name: 1-[4-(mesylmethyl)benzoyl]isonipecotic acid ethyl ester Formula: C17H23NO5S MolecularWeight: 353.43322

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C(=O)C2=CC=C(C=C2)CS(=O)(=O)C

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C(=O)C2=CC=C(C=C2)CS(=O)(=O)C

InChI

InChI=1S/C17H23NO5S/c1-3-23-17(20)15-8-10-18(11-9-15)16(19)14-6-4-13(5-7-14)12-24(2,21)22/h4-7,15H,3,8-12H2,1-2H3