1-[2-(4-bromophenyl)sulfanylethanoyl]piperidine-4-carboxylic acid

Systemtic Name: 1-[2-(4-bromophenyl)sulfanylethanoyl]piperidine-4-carboxylic acid Openeye Name: 1-[2-(4-bromophenyl)sulfanylacetyl]piperidine-4-carboxylic acid CAS Name: 1-[2-[(4-bromophenyl)thio]-1-oxoethyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[2-(4-bromophenyl)sulfanylacetyl]piperidine-4-carboxylic acid Traditional Name: 1-[2-[(4-bromophenyl)thio]acetyl]isonipecotic acid Formula: C14H16BrNO3S MolecularWeight: 358.25074

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)O)C(=O)CSC2=CC=C(C=C2)Br

Isomeric SMILES

C1CN(CCC1C(=O)O)C(=O)CSC2=CC=C(C=C2)Br

InChI

InChI=1S/C14H16BrNO3S/c15-11-1-3-12(4-2-11)20-9-13(17)16-7-5-10(6-8-16)14(18)19/h1-4,10H,5-9H2,(H,18,19)