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

Systemtic Name: (2S)-N-[(1S)-1-cyano-2-[4-(4-ethylsulfonyl-2-methyl-phenyl)phenyl]ethyl]piperidine-2-carboxamide Openeye Name: (2S)-N-[(1S)-1-cyano-2-[4-(4-ethylsulfonyl-2-methyl-phenyl)phenyl]ethyl]piperidine-2-carboxamide CAS Name: (2S)-N-[(1S)-1-cyano-2-[4-(4-ethylsulfonyl-2-methylphenyl)phenyl]ethyl]-2-piperidinecarboxamide IUPAC Name: (2S)-N-[(1S)-1-cyano-2-[4-(4-ethylsulfonyl-2-methylphenyl)phenyl]ethyl]piperidine-2-carboxamide Traditional Name: (2S)-N-[(1S)-1-cyano-2-[4-(4-esyl-2-methyl-phenyl)phenyl]ethyl]pipecolinamide Formula: C24H29N3O3S MolecularWeight: 439.57036

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H29N3O3S/c1-3-31(29,30)21-11-12-22(17(2)14-21)19-9-7-18(8-10-19)15-20(16-25)27-24(28)23-6-4-5-13-26-23/h7-12,14,20,23,26H,3-6,13,15H2,1-2H3,(H,27,28)/t20-,23-/m0/s1