5-[(2-methylsulfanylphenoxy)methyl]-N-[2-[(3S)-3-oxidanylpiperidin-1-yl]ethyl]-1,2-oxazole-3-carboxamide

Systemtic Name: 5-[(2-methylsulfanylphenoxy)methyl]-N-[2-[(3S)-3-oxidanylpiperidin-1-yl]ethyl]-1,2-oxazole-3-carboxamide Openeye Name: N-[2-[(3S)-3-hydroxy-1-piperidyl]ethyl]-5-[(2-methylsulfanylphenoxy)methyl]isoxazole-3-carboxamide CAS Name: N-[2-[(3S)-3-hydroxy-1-piperidinyl]ethyl]-5-[[2-(methylthio)phenoxy]methyl]-3-isoxazolecarboxamide IUPAC Name: N-[2-[(3S)-3-hydroxypiperidin-1-yl]ethyl]-5-[(2-methylsulfanylphenoxy)methyl]-1,2-oxazole-3-carboxamide Traditional Name: N-[2-[(3S)-3-hydroxypiperidino]ethyl]-5-[[2-(methylthio)phenoxy]methyl]isoxazole-3-carboxamide Formula: C19H25N3O4S MolecularWeight: 391.4845

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC=C1OCC2=CC(=NO2)C(=O)NCCN3CCCC(C3)O

Isomeric SMILES

CSC1=CC=CC=C1OCC2=CC(=NO2)C(=O)NCCN3CCC[C@@H](C3)O

InChI

InChI=1S/C19H25N3O4S/c1-27-18-7-3-2-6-17(18)25-13-15-11-16(21-26-15)19(24)20-8-10-22-9-4-5-14(23)12-22/h2-3,6-7,11,14,23H,4-5,8-10,12-13H2,1H3,(H,20,24)/t14-/m0/s1