[5-[(2-methylsulfanylphenoxy)methyl]-1,2-oxazol-3-yl]-[(3S)-3-phenylmethoxypiperidin-1-yl]methanone

Systemtic Name: [5-[(2-methylsulfanylphenoxy)methyl]-1,2-oxazol-3-yl]-[(3S)-3-phenylmethoxypiperidin-1-yl]methanone Openeye Name: [(3S)-3-benzyloxy-1-piperidyl]-[5-[(2-methylsulfanylphenoxy)methyl]isoxazol-3-yl]methanone CAS Name: [5-[[2-(methylthio)phenoxy]methyl]-3-isoxazolyl]-[(3S)-3-phenylmethoxy-1-piperidinyl]methanone IUPAC Name: [5-[(2-methylsulfanylphenoxy)methyl]-1,2-oxazol-3-yl]-[(3S)-3-phenylmethoxypiperidin-1-yl]methanone Traditional Name: [(3S)-3-benzoxypiperidino]-[5-[[2-(methylthio)phenoxy]methyl]isoxazol-3-yl]methanone Formula: C24H26N2O4S MolecularWeight: 438.53924

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC=C1OCC2=CC(=NO2)C(=O)N3CCCC(C3)OCC4=CC=CC=C4

Isomeric SMILES

CSC1=CC=CC=C1OCC2=CC(=NO2)C(=O)N3CCC[C@@H](C3)OCC4=CC=CC=C4

InChI

InChI=1S/C24H26N2O4S/c1-31-23-12-6-5-11-22(23)29-17-20-14-21(25-30-20)24(27)26-13-7-10-19(15-26)28-16-18-8-3-2-4-9-18/h2-6,8-9,11-12,14,19H,7,10,13,15-17H2,1H3/t19-/m0/s1