2-chloranyl-5-[3-(chloromethyl)piperidin-1-yl]sulfonyl-benzoic acid

Systemtic Name: 2-chloranyl-5-[3-(chloromethyl)piperidin-1-yl]sulfonyl-benzoic acid Openeye Name: 2-chloro-5-[[3-(chloromethyl)-1-piperidyl]sulfonyl]benzoic acid CAS Name: 2-chloro-5-[[3-(chloromethyl)-1-piperidinyl]sulfonyl]benzoic acid IUPAC Name: 2-chloro-5-[3-(chloromethyl)piperidin-1-yl]sulfonylbenzoic acid Traditional Name: 2-chloro-5-[3-(chloromethyl)piperidino]sulfonyl-benzoic acid Formula: C13H15Cl2NO4S MolecularWeight: 352.2335

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)S(=O)(=O)C2=CC(=C(C=C2)Cl)C(=O)O)CCl

Isomeric SMILES

C1CC(CN(C1)S(=O)(=O)C2=CC(=C(C=C2)Cl)C(=O)O)CCl

InChI

InChI=1S/C13H15Cl2NO4S/c14-7-9-2-1-5-16(8-9)21(19,20)10-3-4-12(15)11(6-10)13(17)18/h3-4,6,9H,1-2,5,7-8H2,(H,17,18)