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

Systemtic Name: 1-[3-(hydroxymethyl)-3-(2-phenoxyethyl)piperidin-1-yl]-2-pyridin-4-ylsulfanyl-ethanone Openeye Name: 1-[3-(hydroxymethyl)-3-(2-phenoxyethyl)-1-piperidyl]-2-(4-pyridylsulfanyl)ethanone CAS Name: 1-[3-(hydroxymethyl)-3-(2-phenoxyethyl)-1-piperidinyl]-2-(pyridin-4-ylthio)ethanone IUPAC Name: 1-[3-(hydroxymethyl)-3-(2-phenoxyethyl)piperidin-1-yl]-2-pyridin-4-ylsulfanylethanone Traditional Name: 1-[3-methylol-3-(2-phenoxyethyl)piperidino]-2-(4-pyridylthio)ethanone Formula: C21H26N2O3S MolecularWeight: 386.50774

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(=O)CSC2=CC=NC=C2)(CCOC3=CC=CC=C3)CO

Isomeric SMILES

C1CC(CN(C1)C(=O)CSC2=CC=NC=C2)(CCOC3=CC=CC=C3)CO

InChI

InChI=1S/C21H26N2O3S/c24-17-21(10-14-26-18-5-2-1-3-6-18)9-4-13-23(16-21)20(25)15-27-19-7-11-22-12-8-19/h1-3,5-8,11-12,24H,4,9-10,13-17H2