[(2S)-1-[[(2R)-2-cyano-3-methyl-butan-2-yl]amino]-1-oxidanylidene-propan-2-yl] 1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxylate

Systemtic Name: [(2S)-1-[[(2R)-2-cyano-3-methyl-butan-2-yl]amino]-1-oxidanylidene-propan-2-yl] 1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxylate Openeye Name: [(1S)-2-[[(1R)-1-cyano-1,2-dimethyl-propyl]amino]-1-methyl-2-oxo-ethyl] 1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxylate CAS Name: 1-(4-methoxyphenyl)sulfonyl-4-piperidinecarboxylic acid [(2S)-1-[[(2R)-2-cyano-3-methylbutan-2-yl]amino]-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-[[(2R)-2-cyano-3-methylbutan-2-yl]amino]-1-oxopropan-2-yl] 1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxylate Traditional Name: 1-(4-methoxyphenyl)sulfonylisonipecotic acid [(1S)-2-[[(1R)-1-cyano-1,2-dimethyl-propyl]amino]-2-keto-1-methyl-ethyl] ester Formula: C22H31N3O6S MolecularWeight: 465.56304

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C[C@@H](C(=O)N[C@@](C)(C#N)C(C)C)OC(=O)C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)OC

InChI

InChI=1S/C22H31N3O6S/c1-15(2)22(4,14-23)24-20(26)16(3)31-21(27)17-10-12-25(13-11-17)32(28,29)19-8-6-18(30-5)7-9-19/h6-9,15-17H,10-13H2,1-5H3,(H,24,26)/t16-,22-/m0/s1