methyl 1-[2-[(4-bromophenyl)methylsulfanyl]ethanoyl]piperidine-4-carboxylate

Systemtic Name: methyl 1-[2-[(4-bromophenyl)methylsulfanyl]ethanoyl]piperidine-4-carboxylate Openeye Name: methyl 1-[2-[(4-bromophenyl)methylsulfanyl]acetyl]piperidine-4-carboxylate CAS Name: 1-[2-[(4-bromophenyl)methylthio]-1-oxoethyl]-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[2-[(4-bromophenyl)methylsulfanyl]acetyl]piperidine-4-carboxylate Traditional Name: 1-[2-[(4-bromobenzyl)thio]acetyl]isonipecotic acid methyl ester Formula: C16H20BrNO3S MolecularWeight: 386.3039

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CCN(CC1)C(=O)CSCC2=CC=C(C=C2)Br

Isomeric SMILES

COC(=O)C1CCN(CC1)C(=O)CSCC2=CC=C(C=C2)Br

InChI

InChI=1S/C16H20BrNO3S/c1-21-16(20)13-6-8-18(9-7-13)15(19)11-22-10-12-2-4-14(17)5-3-12/h2-5,13H,6-11H2,1H3