1-[2-(hydroxymethyl)piperidin-1-yl]-4-phenylsulfanyl-butan-1-one

Systemtic Name: 1-[2-(hydroxymethyl)piperidin-1-yl]-4-phenylsulfanyl-butan-1-one Openeye Name: 1-[2-(hydroxymethyl)-1-piperidyl]-4-phenylsulfanyl-butan-1-one CAS Name: 1-[2-(hydroxymethyl)-1-piperidinyl]-4-(phenylthio)-1-butanone IUPAC Name: 1-[2-(hydroxymethyl)piperidin-1-yl]-4-phenylsulfanylbutan-1-one Traditional Name: 1-(2-methylolpiperidino)-4-(phenylthio)butan-1-one Formula: C16H23NO2S MolecularWeight: 293.42432

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(C1)CO)C(=O)CCCSC2=CC=CC=C2

Isomeric SMILES

C1CCN(C(C1)CO)C(=O)CCCSC2=CC=CC=C2

InChI

InChI=1S/C16H23NO2S/c18-13-14-7-4-5-11-17(14)16(19)10-6-12-20-15-8-2-1-3-9-15/h1-3,8-9,14,18H,4-7,10-13H2