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

Systemtic Name: 3-(3,4-dimethylphenyl)sulfanyl-1-[3-(hydroxymethyl)piperidin-1-yl]propan-1-one Openeye Name: 3-(3,4-dimethylphenyl)sulfanyl-1-[3-(hydroxymethyl)-1-piperidyl]propan-1-one CAS Name: 3-[(3,4-dimethylphenyl)thio]-1-[3-(hydroxymethyl)-1-piperidinyl]-1-propanone IUPAC Name: 3-(3,4-dimethylphenyl)sulfanyl-1-[3-(hydroxymethyl)piperidin-1-yl]propan-1-one Traditional Name: 3-[(3,4-dimethylphenyl)thio]-1-(3-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)N2CCCC(C2)CO)C

Isomeric SMILES

CC1=C(C=C(C=C1)SCCC(=O)N2CCCC(C2)CO)C

InChI

InChI=1S/C17H25NO2S/c1-13-5-6-16(10-14(13)2)21-9-7-17(20)18-8-3-4-15(11-18)12-19/h5-6,10,15,19H,3-4,7-9,11-12H2,1-2H3