[2-oxidanylidene-2-(propylcarbamoylamino)ethyl] 1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxylate

Systemtic Name: [2-oxidanylidene-2-(propylcarbamoylamino)ethyl] 1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxylate Openeye Name: [2-oxo-2-(propylcarbamoylamino)ethyl] 1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxylate CAS Name: 1-(2,4,6-trimethylphenyl)sulfonyl-4-piperidinecarboxylic acid [2-oxo-2-[[oxo(propylamino)methyl]amino]ethyl] ester IUPAC Name: [2-oxo-2-(propylcarbamoylamino)ethyl] 1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxylate Traditional Name: 1-mesitylsulfonylisonipecotic acid [2-keto-2-(propylcarbamoylamino)ethyl] ester Formula: C21H31N3O6S MolecularWeight: 453.55234

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)NC(=O)COC(=O)C1CCN(CC1)S(=O)(=O)C2=C(C=C(C=C2C)C)C

Isomeric SMILES

CCCNC(=O)NC(=O)COC(=O)C1CCN(CC1)S(=O)(=O)C2=C(C=C(C=C2C)C)C

InChI

InChI=1S/C21H31N3O6S/c1-5-8-22-21(27)23-18(25)13-30-20(26)17-6-9-24(10-7-17)31(28,29)19-15(3)11-14(2)12-16(19)4/h11-12,17H,5-10,13H2,1-4H3,(H2,22,23,25,27)