2-(2,5-dimethylphenyl)sulfanyl-1-[3-(hydroxymethyl)piperidin-1-yl]ethanone

Systemtic Name: 2-(2,5-dimethylphenyl)sulfanyl-1-[3-(hydroxymethyl)piperidin-1-yl]ethanone Openeye Name: 2-(2,5-dimethylphenyl)sulfanyl-1-[3-(hydroxymethyl)-1-piperidyl]ethanone CAS Name: 2-[(2,5-dimethylphenyl)thio]-1-[3-(hydroxymethyl)-1-piperidinyl]ethanone IUPAC Name: 2-(2,5-dimethylphenyl)sulfanyl-1-[3-(hydroxymethyl)piperidin-1-yl]ethanone Traditional Name: 2-[(2,5-dimethylphenyl)thio]-1-(3-methylolpiperidino)ethanone Formula: C16H23NO2S MolecularWeight: 293.42432

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)SCC(=O)N2CCCC(C2)CO

Isomeric SMILES

CC1=CC(=C(C=C1)C)SCC(=O)N2CCCC(C2)CO

InChI

InChI=1S/C16H23NO2S/c1-12-5-6-13(2)15(8-12)20-11-16(19)17-7-3-4-14(9-17)10-18/h5-6,8,14,18H,3-4,7,9-11H2,1-2H3