[(2S)-1-(tert-butylamino)-1-oxidanylidene-propan-2-yl] 1-(4-cyanophenyl)sulfonylpiperidine-4-carboxylate

Systemtic Name: [(2S)-1-(tert-butylamino)-1-oxidanylidene-propan-2-yl] 1-(4-cyanophenyl)sulfonylpiperidine-4-carboxylate Openeye Name: [(1S)-2-(tert-butylamino)-1-methyl-2-oxo-ethyl] 1-(4-cyanophenyl)sulfonylpiperidine-4-carboxylate CAS Name: 1-(4-cyanophenyl)sulfonyl-4-piperidinecarboxylic acid [(2S)-1-(tert-butylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(tert-butylamino)-1-oxopropan-2-yl] 1-(4-cyanophenyl)sulfonylpiperidine-4-carboxylate Traditional Name: 1-(4-cyanophenyl)sulfonylisonipecotic acid [(1S)-2-(tert-butylamino)-2-keto-1-methyl-ethyl] ester Formula: C20H27N3O5S MolecularWeight: 421.51048

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H27N3O5S/c1-14(18(24)22-20(2,3)4)28-19(25)16-9-11-23(12-10-16)29(26,27)17-7-5-15(13-21)6-8-17/h5-8,14,16H,9-12H2,1-4H3,(H,22,24)/t14-/m0/s1