[2-(cyclohexylcarbamoylamino)-2-oxidanylidene-ethyl] 1-methylsulfonylpiperidine-4-carboxylate

Systemtic Name: [2-(cyclohexylcarbamoylamino)-2-oxidanylidene-ethyl] 1-methylsulfonylpiperidine-4-carboxylate Openeye Name: [2-(cyclohexylcarbamoylamino)-2-oxo-ethyl] 1-methylsulfonylpiperidine-4-carboxylate CAS Name: 1-methylsulfonyl-4-piperidinecarboxylic acid [2-[[(cyclohexylamino)-oxomethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-(cyclohexylcarbamoylamino)-2-oxoethyl] 1-methylsulfonylpiperidine-4-carboxylate Traditional Name: 1-mesylisonipecotic acid [2-(cyclohexylcarbamoylamino)-2-keto-ethyl] ester Formula: C16H27N3O6S MolecularWeight: 389.46708

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCC(CC1)C(=O)OCC(=O)NC(=O)NC2CCCCC2

Isomeric SMILES

CS(=O)(=O)N1CCC(CC1)C(=O)OCC(=O)NC(=O)NC2CCCCC2

InChI

InChI=1S/C16H27N3O6S/c1-26(23,24)19-9-7-12(8-10-19)15(21)25-11-14(20)18-16(22)17-13-5-3-2-4-6-13/h12-13H,2-11H2,1H3,(H2,17,18,20,22)