2-(4-bromanyl-2,5-dimethyl-phenyl)sulfanyl-1-[3-(hydroxymethyl)piperidin-1-yl]ethanone

Systemtic Name: 2-(4-bromanyl-2,5-dimethyl-phenyl)sulfanyl-1-[3-(hydroxymethyl)piperidin-1-yl]ethanone Openeye Name: 2-(4-bromo-2,5-dimethyl-phenyl)sulfanyl-1-[3-(hydroxymethyl)-1-piperidyl]ethanone CAS Name: 2-[(4-bromo-2,5-dimethylphenyl)thio]-1-[3-(hydroxymethyl)-1-piperidinyl]ethanone IUPAC Name: 2-(4-bromo-2,5-dimethylphenyl)sulfanyl-1-[3-(hydroxymethyl)piperidin-1-yl]ethanone Traditional Name: 2-[(4-bromo-2,5-dimethyl-phenyl)thio]-1-(3-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)N2CCCC(C2)CO

Isomeric SMILES

CC1=CC(=C(C=C1Br)C)SCC(=O)N2CCCC(C2)CO

InChI

InChI=1S/C16H22BrNO2S/c1-11-7-15(12(2)6-14(11)17)21-10-16(20)18-5-3-4-13(8-18)9-19/h6-7,13,19H,3-5,8-10H2,1-2H3