N-[(1R,2R)-2-oxidanyl-1-phenyl-cyclohexyl]-2-propylsulfanyl-pyridine-3-carboxamide

Systemtic Name: N-[(1R,2R)-2-oxidanyl-1-phenyl-cyclohexyl]-2-propylsulfanyl-pyridine-3-carboxamide Openeye Name: N-[(1R,2R)-2-hydroxy-1-phenyl-cyclohexyl]-2-propylsulfanyl-pyridine-3-carboxamide CAS Name: N-[(1R,2R)-2-hydroxy-1-phenylcyclohexyl]-2-(propylthio)-3-pyridinecarboxamide IUPAC Name: N-[(1R,2R)-2-hydroxy-1-phenylcyclohexyl]-2-propylsulfanylpyridine-3-carboxamide Traditional Name: N-[(1R,2R)-2-hydroxy-1-phenyl-cyclohexyl]-2-(propylthio)nicotinamide Formula: C21H26N2O2S MolecularWeight: 370.50834

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Descriptors Computed from Structure

Canonical SMILES:

CCCSC1=C(C=CC=N1)C(=O)NC2(CCCCC2O)C3=CC=CC=C3

Isomeric SMILES

CCCSC1=C(C=CC=N1)C(=O)N[C@]2(CCCC[C@H]2O)C3=CC=CC=C3

InChI

InChI=1S/C21H26N2O2S/c1-2-15-26-20-17(11-8-14-22-20)19(25)23-21(13-7-6-12-18(21)24)16-9-4-3-5-10-16/h3-5,8-11,14,18,24H,2,6-7,12-13,15H2,1H3,(H,23,25)/t18-,21-/m1/s1