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

Systemtic Name: [2-(ethylcarbamoylamino)-2-oxidanylidene-ethyl] 1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxylate Openeye Name: [2-(ethylcarbamoylamino)-2-oxo-ethyl] 1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxylate CAS Name: 1-(2,4,6-trimethylphenyl)sulfonyl-4-piperidinecarboxylic acid [2-(ethylcarbamoylamino)-2-oxoethyl] ester IUPAC Name: [2-(ethylcarbamoylamino)-2-oxoethyl] 1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxylate Traditional Name: 1-mesitylsulfonylisonipecotic acid [2-(ethylcarbamoylamino)-2-keto-ethyl] ester Formula: C20H29N3O6S MolecularWeight: 439.52576

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H29N3O6S/c1-5-21-20(26)22-17(24)12-29-19(25)16-6-8-23(9-7-16)30(27,28)18-14(3)10-13(2)11-15(18)4/h10-11,16H,5-9,12H2,1-4H3,(H2,21,22,24,26)