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

Systemtic Name: 1-[2-(4-bromophenyl)sulfonylethyl]piperidine-3-carboxylic acid Openeye Name: 1-[2-(4-bromophenyl)sulfonylethyl]piperidine-3-carboxylic acid CAS Name: 1-[2-(4-bromophenyl)sulfonylethyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[2-(4-bromophenyl)sulfonylethyl]piperidine-3-carboxylic acid Traditional Name: 1-(2-brosylethyl)nipecotic acid Formula: C14H18BrNO4S MolecularWeight: 376.26602

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H18BrNO4S/c15-12-3-5-13(6-4-12)21(19,20)9-8-16-7-1-2-11(10-16)14(17)18/h3-6,11H,1-2,7-10H2,(H,17,18)