3-(3,4-dimethylphenyl)sulfanyl-1-[2-(hydroxymethyl)piperidin-1-yl]propan-1-one

Systemtic Name: 3-(3,4-dimethylphenyl)sulfanyl-1-[2-(hydroxymethyl)piperidin-1-yl]propan-1-one Openeye Name: 3-(3,4-dimethylphenyl)sulfanyl-1-[2-(hydroxymethyl)-1-piperidyl]propan-1-one CAS Name: 3-[(3,4-dimethylphenyl)thio]-1-[2-(hydroxymethyl)-1-piperidinyl]-1-propanone IUPAC Name: 3-(3,4-dimethylphenyl)sulfanyl-1-[2-(hydroxymethyl)piperidin-1-yl]propan-1-one Traditional Name: 3-[(3,4-dimethylphenyl)thio]-1-(2-methylolpiperidino)propan-1-one Formula: C17H25NO2S MolecularWeight: 307.4509

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)SCCC(=O)N2CCCCC2CO)C

Isomeric SMILES

CC1=C(C=C(C=C1)SCCC(=O)N2CCCCC2CO)C

InChI

InChI=1S/C17H25NO2S/c1-13-6-7-16(11-14(13)2)21-10-8-17(20)18-9-4-3-5-15(18)12-19/h6-7,11,15,19H,3-5,8-10,12H2,1-2H3