[1-(methylamino)-1-oxidanylidene-propan-2-yl] 1-(4-tert-butylphenyl)sulfonylpiperidine-4-carboxylate

Systemtic Name: [1-(methylamino)-1-oxidanylidene-propan-2-yl] 1-(4-tert-butylphenyl)sulfonylpiperidine-4-carboxylate Openeye Name: [1-methyl-2-(methylamino)-2-oxo-ethyl] 1-(4-tert-butylphenyl)sulfonylpiperidine-4-carboxylate CAS Name: 1-(4-tert-butylphenyl)sulfonyl-4-piperidinecarboxylic acid [1-(methylamino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(methylamino)-1-oxopropan-2-yl] 1-(4-tert-butylphenyl)sulfonylpiperidine-4-carboxylate Traditional Name: 1-(4-tert-butylphenyl)sulfonylisonipecotic acid [2-keto-1-methyl-2-(methylamino)ethyl] ester Formula: C20H30N2O5S MolecularWeight: 410.5276

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC)OC(=O)C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(C)(C)C

Isomeric SMILES

CC(C(=O)NC)OC(=O)C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(C)(C)C

InChI

InChI=1S/C20H30N2O5S/c1-14(18(23)21-5)27-19(24)15-10-12-22(13-11-15)28(25,26)17-8-6-16(7-9-17)20(2,3)4/h6-9,14-15H,10-13H2,1-5H3,(H,21,23)