(2S)-N-[(1S)-1-cyano-2-[4-(3-cyano-4-methylsulfonyl-phenyl)phenyl]ethyl]piperidine-2-carboxamide

Systemtic Name: (2S)-N-[(1S)-1-cyano-2-[4-(3-cyano-4-methylsulfonyl-phenyl)phenyl]ethyl]piperidine-2-carboxamide Openeye Name: (2S)-N-[(1S)-1-cyano-2-[4-(3-cyano-4-methylsulfonyl-phenyl)phenyl]ethyl]piperidine-2-carboxamide CAS Name: (2S)-N-[(1S)-1-cyano-2-[4-(3-cyano-4-methylsulfonylphenyl)phenyl]ethyl]-2-piperidinecarboxamide IUPAC Name: (2S)-N-[(1S)-1-cyano-2-[4-(3-cyano-4-methylsulfonylphenyl)phenyl]ethyl]piperidine-2-carboxamide Traditional Name: (2S)-N-[(1S)-1-cyano-2-[4-(3-cyano-4-mesyl-phenyl)phenyl]ethyl]pipecolinamide Formula: C23H24N4O3S MolecularWeight: 436.52666

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H24N4O3S/c1-31(29,30)22-10-9-18(13-19(22)14-24)17-7-5-16(6-8-17)12-20(15-25)27-23(28)21-4-2-3-11-26-21/h5-10,13,20-21,26H,2-4,11-12H2,1H3,(H,27,28)/t20-,21-/m0/s1