2-[3-chloranyl-5-[1-(4-fluorophenyl)sulfonylpiperidin-3-yl]phenyl]ethanoic acid

Systemtic Name: 2-[3-chloranyl-5-[1-(4-fluorophenyl)sulfonylpiperidin-3-yl]phenyl]ethanoic acid Openeye Name: 2-[3-chloro-5-[1-(4-fluorophenyl)sulfonyl-3-piperidyl]phenyl]acetic acid CAS Name: 2-[3-chloro-5-[1-(4-fluorophenyl)sulfonyl-3-piperidinyl]phenyl]acetic acid IUPAC Name: 2-[3-chloro-5-[1-(4-fluorophenyl)sulfonylpiperidin-3-yl]phenyl]acetic acid Traditional Name: 2-[3-chloro-5-[1-(4-fluorophenyl)sulfonyl-3-piperidyl]phenyl]acetic acid Formula: C19H19ClFNO4S MolecularWeight: 411.874863

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)S(=O)(=O)C2=CC=C(C=C2)F)C3=CC(=CC(=C3)Cl)CC(=O)O

Isomeric SMILES

C1CC(CN(C1)S(=O)(=O)C2=CC=C(C=C2)F)C3=CC(=CC(=C3)Cl)CC(=O)O

InChI

InChI=1S/C19H19ClFNO4S/c20-16-9-13(10-19(23)24)8-15(11-16)14-2-1-7-22(12-14)27(25,26)18-5-3-17(21)4-6-18/h3-6,8-9,11,14H,1-2,7,10,12H2,(H,23,24)