[2-oxidanylidene-2-(2,3,4,5-tetramethylphenyl)ethyl] 1-methylsulfonylpiperidine-4-carboxylate

Systemtic Name: [2-oxidanylidene-2-(2,3,4,5-tetramethylphenyl)ethyl] 1-methylsulfonylpiperidine-4-carboxylate Openeye Name: [2-oxo-2-(2,3,4,5-tetramethylphenyl)ethyl] 1-methylsulfonylpiperidine-4-carboxylate CAS Name: 1-methylsulfonyl-4-piperidinecarboxylic acid [2-oxo-2-(2,3,4,5-tetramethylphenyl)ethyl] ester IUPAC Name: [2-oxo-2-(2,3,4,5-tetramethylphenyl)ethyl] 1-methylsulfonylpiperidine-4-carboxylate Traditional Name: 1-mesylisonipecotic acid [2-keto-2-(2,3,4,5-tetramethylphenyl)ethyl] ester Formula: C19H27NO5S MolecularWeight: 381.48638

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C(=C1)C(=O)COC(=O)C2CCN(CC2)S(=O)(=O)C)C)C)C

Isomeric SMILES

CC1=C(C(=C(C(=C1)C(=O)COC(=O)C2CCN(CC2)S(=O)(=O)C)C)C)C

InChI

InChI=1S/C19H27NO5S/c1-12-10-17(15(4)14(3)13(12)2)18(21)11-25-19(22)16-6-8-20(9-7-16)26(5,23)24/h10,16H,6-9,11H2,1-5H3