1-[2-(4-bromophenyl)sulfanylethanoyl]piperidine-3-carboxylic acid

Systemtic Name: 1-[2-(4-bromophenyl)sulfanylethanoyl]piperidine-3-carboxylic acid Openeye Name: 1-[2-(4-bromophenyl)sulfanylacetyl]piperidine-3-carboxylic acid CAS Name: 1-[2-[(4-bromophenyl)thio]-1-oxoethyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[2-(4-bromophenyl)sulfanylacetyl]piperidine-3-carboxylic acid Traditional Name: 1-[2-[(4-bromophenyl)thio]acetyl]nipecotic acid Formula: C14H16BrNO3S MolecularWeight: 358.25074

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(=O)CSC2=CC=C(C=C2)Br)C(=O)O

Isomeric SMILES

C1CC(CN(C1)C(=O)CSC2=CC=C(C=C2)Br)C(=O)O

InChI

InChI=1S/C14H16BrNO3S/c15-11-3-5-12(6-4-11)20-9-13(17)16-7-1-2-10(8-16)14(18)19/h3-6,10H,1-2,7-9H2,(H,18,19)