(2S,4R)-N-tert-butyl-4-(pyridin-3-ylmethylsulfanyl)piperidine-2-carboxamide

Systemtic Name: (2S,4R)-N-tert-butyl-4-(pyridin-3-ylmethylsulfanyl)piperidine-2-carboxamide Openeye Name: (2S,4R)-N-tert-butyl-4-(3-pyridylmethylsulfanyl)piperidine-2-carboxamide CAS Name: (2S,4R)-N-tert-butyl-4-(3-pyridinylmethylthio)-2-piperidinecarboxamide IUPAC Name: (2S,4R)-N-tert-butyl-4-(pyridin-3-ylmethylsulfanyl)piperidine-2-carboxamide Traditional Name: (2S,4R)-N-tert-butyl-4-(3-pyridylmethylthio)pipecolinamide Formula: C16H25N3OS MolecularWeight: 307.4542

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)C1CC(CCN1)SCC2=CN=CC=C2

Isomeric SMILES

CC(C)(C)NC(=O)[C@@H]1C[C@@H](CCN1)SCC2=CN=CC=C2

InChI

InChI=1S/C16H25N3OS/c1-16(2,3)19-15(20)14-9-13(6-8-18-14)21-11-12-5-4-7-17-10-12/h4-5,7,10,13-14,18H,6,8-9,11H2,1-3H3,(H,19,20)/t13-,14+/m1/s1