[1-oxidanylidene-1-(propan-2-ylamino)propan-2-yl] 1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxylate

Systemtic Name: [1-oxidanylidene-1-(propan-2-ylamino)propan-2-yl] 1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxylate Openeye Name: [2-(isopropylamino)-1-methyl-2-oxo-ethyl] 1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxylate CAS Name: 1-(2,4,6-trimethylphenyl)sulfonyl-4-piperidinecarboxylic acid [1-oxo-1-(propan-2-ylamino)propan-2-yl] ester IUPAC Name: [1-oxo-1-(propan-2-ylamino)propan-2-yl] 1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxylate Traditional Name: 1-mesitylsulfonylisonipecotic acid [2-(isopropylamino)-2-keto-1-methyl-ethyl] ester Formula: C21H32N2O5S MolecularWeight: 424.55418

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)S(=O)(=O)N2CCC(CC2)C(=O)OC(C)C(=O)NC(C)C)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)S(=O)(=O)N2CCC(CC2)C(=O)OC(C)C(=O)NC(C)C)C

InChI

InChI=1S/C21H32N2O5S/c1-13(2)22-20(24)17(6)28-21(25)18-7-9-23(10-8-18)29(26,27)19-15(4)11-14(3)12-16(19)5/h11-13,17-18H,7-10H2,1-6H3,(H,22,24)