[(3S)-3-(hydroxymethyl)-3-(phenylmethyl)piperidin-1-yl]-(2-methylsulfanylphenyl)methanone

Systemtic Name: [(3S)-3-(hydroxymethyl)-3-(phenylmethyl)piperidin-1-yl]-(2-methylsulfanylphenyl)methanone Openeye Name: [(3S)-3-benzyl-3-(hydroxymethyl)-1-piperidyl]-(2-methylsulfanylphenyl)methanone CAS Name: [(3S)-3-(hydroxymethyl)-3-(phenylmethyl)-1-piperidinyl]-[2-(methylthio)phenyl]methanone IUPAC Name: [(3S)-3-benzyl-3-(hydroxymethyl)piperidin-1-yl]-(2-methylsulfanylphenyl)methanone Traditional Name: [(3S)-3-benzyl-3-methylol-piperidino]-[2-(methylthio)phenyl]methanone Formula: C21H25NO2S MolecularWeight: 355.4937

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC=C1C(=O)N2CCCC(C2)(CC3=CC=CC=C3)CO

Isomeric SMILES

CSC1=CC=CC=C1C(=O)N2CCC[C@@](C2)(CC3=CC=CC=C3)CO

InChI

InChI=1S/C21H25NO2S/c1-25-19-11-6-5-10-18(19)20(24)22-13-7-12-21(15-22,16-23)14-17-8-3-2-4-9-17/h2-6,8-11,23H,7,12-16H2,1H3/t21-/m0/s1