2-(4-bromanyl-2,5-dimethyl-phenyl)sulfanyl-1-[2-(hydroxymethyl)piperidin-1-yl]ethanone

Systemtic Name: 2-(4-bromanyl-2,5-dimethyl-phenyl)sulfanyl-1-[2-(hydroxymethyl)piperidin-1-yl]ethanone Openeye Name: 2-(4-bromo-2,5-dimethyl-phenyl)sulfanyl-1-[2-(hydroxymethyl)-1-piperidyl]ethanone CAS Name: 2-[(4-bromo-2,5-dimethylphenyl)thio]-1-[2-(hydroxymethyl)-1-piperidinyl]ethanone IUPAC Name: 2-(4-bromo-2,5-dimethylphenyl)sulfanyl-1-[2-(hydroxymethyl)piperidin-1-yl]ethanone Traditional Name: 2-[(4-bromo-2,5-dimethyl-phenyl)thio]-1-(2-methylolpiperidino)ethanone Formula: C16H22BrNO2S MolecularWeight: 372.32038

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1Br)C)SCC(=O)N2CCCCC2CO

Isomeric SMILES

CC1=CC(=C(C=C1Br)C)SCC(=O)N2CCCCC2CO

InChI

InChI=1S/C16H22BrNO2S/c1-11-8-15(12(2)7-14(11)17)21-10-16(20)18-6-4-3-5-13(18)9-19/h7-8,13,19H,3-6,9-10H2,1-2H3