[(3S)-3-(hydroxymethyl)-3-(2-phenoxyethyl)piperidin-1-yl]-(4-methylsulfanylphenyl)methanone

Systemtic Name: [(3S)-3-(hydroxymethyl)-3-(2-phenoxyethyl)piperidin-1-yl]-(4-methylsulfanylphenyl)methanone Openeye Name: [(3S)-3-(hydroxymethyl)-3-(2-phenoxyethyl)-1-piperidyl]-(4-methylsulfanylphenyl)methanone CAS Name: [(3S)-3-(hydroxymethyl)-3-(2-phenoxyethyl)-1-piperidinyl]-[4-(methylthio)phenyl]methanone IUPAC Name: [(3S)-3-(hydroxymethyl)-3-(2-phenoxyethyl)piperidin-1-yl]-(4-methylsulfanylphenyl)methanone Traditional Name: [(3S)-3-methylol-3-(2-phenoxyethyl)piperidino]-[4-(methylthio)phenyl]methanone Formula: C22H27NO3S MolecularWeight: 385.51968

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)C(=O)N2CCCC(C2)(CCOC3=CC=CC=C3)CO

Isomeric SMILES

CSC1=CC=C(C=C1)C(=O)N2CCC[C@@](C2)(CCOC3=CC=CC=C3)CO

InChI

InChI=1S/C22H27NO3S/c1-27-20-10-8-18(9-11-20)21(25)23-14-5-12-22(16-23,17-24)13-15-26-19-6-3-2-4-7-19/h2-4,6-11,24H,5,12-17H2,1H3/t22-/m0/s1