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

Systemtic Name: 1-[3-(hydroxymethyl)-3-(2-phenoxyethyl)piperidin-1-yl]-2-(4-methylsulfanylphenyl)ethanone Openeye Name: 1-[3-(hydroxymethyl)-3-(2-phenoxyethyl)-1-piperidyl]-2-(4-methylsulfanylphenyl)ethanone CAS Name: 1-[3-(hydroxymethyl)-3-(2-phenoxyethyl)-1-piperidinyl]-2-[4-(methylthio)phenyl]ethanone IUPAC Name: 1-[3-(hydroxymethyl)-3-(2-phenoxyethyl)piperidin-1-yl]-2-(4-methylsulfanylphenyl)ethanone Traditional Name: 1-[3-methylol-3-(2-phenoxyethyl)piperidino]-2-[4-(methylthio)phenyl]ethanone Formula: C23H29NO3S MolecularWeight: 399.54626

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H29NO3S/c1-28-21-10-8-19(9-11-21)16-22(26)24-14-5-12-23(17-24,18-25)13-15-27-20-6-3-2-4-7-20/h2-4,6-11,25H,5,12-18H2,1H3