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

Systemtic Name: methyl 1-[2-(4-bromophenyl)sulfanylethanoyl]piperidine-4-carboxylate Openeye Name: methyl 1-[2-(4-bromophenyl)sulfanylacetyl]piperidine-4-carboxylate CAS Name: 1-[2-[(4-bromophenyl)thio]-1-oxoethyl]-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[2-(4-bromophenyl)sulfanylacetyl]piperidine-4-carboxylate Traditional Name: 1-[2-[(4-bromophenyl)thio]acetyl]isonipecotic acid methyl ester Formula: C15H18BrNO3S MolecularWeight: 372.27732

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CCN(CC1)C(=O)CSC2=CC=C(C=C2)Br

Isomeric SMILES

COC(=O)C1CCN(CC1)C(=O)CSC2=CC=C(C=C2)Br

InChI

InChI=1S/C15H18BrNO3S/c1-20-15(19)11-6-8-17(9-7-11)14(18)10-21-13-4-2-12(16)3-5-13/h2-5,11H,6-10H2,1H3