(2S)-N-[(1S)-1-cyano-2-[4-(4-methylsulfonylphenyl)phenyl]ethyl]piperidine-2-carboxamide

Systemtic Name: (2S)-N-[(1S)-1-cyano-2-[4-(4-methylsulfonylphenyl)phenyl]ethyl]piperidine-2-carboxamide Openeye Name: (2S)-N-[(1S)-1-cyano-2-[4-(4-methylsulfonylphenyl)phenyl]ethyl]piperidine-2-carboxamide CAS Name: (2S)-N-[(1S)-1-cyano-2-[4-(4-methylsulfonylphenyl)phenyl]ethyl]-2-piperidinecarboxamide IUPAC Name: (2S)-N-[(1S)-1-cyano-2-[4-(4-methylsulfonylphenyl)phenyl]ethyl]piperidine-2-carboxamide Traditional Name: (2S)-N-[(1S)-1-cyano-2-[4-(4-mesylphenyl)phenyl]ethyl]pipecolinamide Formula: C22H25N3O3S MolecularWeight: 411.5172

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)C2=CC=C(C=C2)CC(C#N)NC(=O)C3CCCCN3

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)C2=CC=C(C=C2)C[C@@H](C#N)NC(=O)[C@@H]3CCCCN3

InChI

InChI=1S/C22H25N3O3S/c1-29(27,28)20-11-9-18(10-12-20)17-7-5-16(6-8-17)14-19(15-23)25-22(26)21-4-2-3-13-24-21/h5-12,19,21,24H,2-4,13-14H2,1H3,(H,25,26)/t19-,21-/m0/s1