N-[[(1S,2S)-2-oxidanylcyclopentyl]methyl]-N-(phenylmethyl)-2-propylsulfanyl-pyridine-3-carboxamide

Systemtic Name: N-[[(1S,2S)-2-oxidanylcyclopentyl]methyl]-N-(phenylmethyl)-2-propylsulfanyl-pyridine-3-carboxamide Openeye Name: N-benzyl-N-[[(1S,2S)-2-hydroxycyclopentyl]methyl]-2-propylsulfanyl-pyridine-3-carboxamide CAS Name: N-[[(1S,2S)-2-hydroxycyclopentyl]methyl]-N-(phenylmethyl)-2-(propylthio)-3-pyridinecarboxamide IUPAC Name: N-benzyl-N-[[(1S,2S)-2-hydroxycyclopentyl]methyl]-2-propylsulfanylpyridine-3-carboxamide Traditional Name: N-benzyl-N-[[(1S,2S)-2-hydroxycyclopentyl]methyl]-2-(propylthio)nicotinamide Formula: C22H28N2O2S MolecularWeight: 384.53492

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCSC1=C(C=CC=N1)C(=O)N(CC2CCCC2O)CC3=CC=CC=C3

Isomeric SMILES

CCCSC1=C(C=CC=N1)C(=O)N(C[C@@H]2CCC[C@@H]2O)CC3=CC=CC=C3

InChI

InChI=1S/C22H28N2O2S/c1-2-14-27-21-19(11-7-13-23-21)22(26)24(15-17-8-4-3-5-9-17)16-18-10-6-12-20(18)25/h3-5,7-9,11,13,18,20,25H,2,6,10,12,14-16H2,1H3/t18-,20-/m0/s1