[1-oxidanylidene-1-(prop-2-enylamino)propan-2-yl] 1-methylsulfonylpiperidine-4-carboxylate

Systemtic Name: [1-oxidanylidene-1-(prop-2-enylamino)propan-2-yl] 1-methylsulfonylpiperidine-4-carboxylate Openeye Name: [2-(allylamino)-1-methyl-2-oxo-ethyl] 1-methylsulfonylpiperidine-4-carboxylate CAS Name: 1-methylsulfonyl-4-piperidinecarboxylic acid [1-oxo-1-(prop-2-enylamino)propan-2-yl] ester IUPAC Name: [1-oxo-1-(prop-2-enylamino)propan-2-yl] 1-methylsulfonylpiperidine-4-carboxylate Traditional Name: 1-mesylisonipecotic acid [2-(allylamino)-2-keto-1-methyl-ethyl] ester Formula: C13H22N2O5S MolecularWeight: 318.38918

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC=C)OC(=O)C1CCN(CC1)S(=O)(=O)C

Isomeric SMILES

CC(C(=O)NCC=C)OC(=O)C1CCN(CC1)S(=O)(=O)C

InChI

InChI=1S/C13H22N2O5S/c1-4-7-14-12(16)10(2)20-13(17)11-5-8-15(9-6-11)21(3,18)19/h4,10-11H,1,5-9H2,2-3H3,(H,14,16)