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

Systemtic Name: [(2S)-1-oxidanylidene-1-pyrrolidin-1-yl-propan-2-yl] 1-(4-cyanophenyl)sulfonylpiperidine-4-carboxylate Openeye Name: [(1S)-1-methyl-2-oxo-2-pyrrolidin-1-yl-ethyl] 1-(4-cyanophenyl)sulfonylpiperidine-4-carboxylate CAS Name: 1-(4-cyanophenyl)sulfonyl-4-piperidinecarboxylic acid [(2S)-1-oxo-1-(1-pyrrolidinyl)propan-2-yl] ester IUPAC Name: [(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl] 1-(4-cyanophenyl)sulfonylpiperidine-4-carboxylate Traditional Name: 1-(4-cyanophenyl)sulfonylisonipecotic acid [(1S)-2-keto-1-methyl-2-pyrrolidino-ethyl] ester Formula: C20H25N3O5S MolecularWeight: 419.4946

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCCC1)OC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C#N

Isomeric SMILES

C[C@@H](C(=O)N1CCCC1)OC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C#N

InChI

InChI=1S/C20H25N3O5S/c1-15(19(24)22-10-2-3-11-22)28-20(25)17-8-12-23(13-9-17)29(26,27)18-6-4-16(14-21)5-7-18/h4-7,15,17H,2-3,8-13H2,1H3/t15-/m0/s1