2-chloranyl-4-fluoranyl-5-[4-(phenylmethyl)piperidin-1-yl]sulfonyl-benzoic acid

Systemtic Name: 2-chloranyl-4-fluoranyl-5-[4-(phenylmethyl)piperidin-1-yl]sulfonyl-benzoic acid Openeye Name: 5-[(4-benzyl-1-piperidyl)sulfonyl]-2-chloro-4-fluoro-benzoic acid CAS Name: 2-chloro-4-fluoro-5-[[4-(phenylmethyl)-1-piperidinyl]sulfonyl]benzoic acid IUPAC Name: 5-(4-benzylpiperidin-1-yl)sulfonyl-2-chloro-4-fluorobenzoic acid Traditional Name: 5-(4-benzylpiperidino)sulfonyl-2-chloro-4-fluoro-benzoic acid Formula: C19H19ClFNO4S MolecularWeight: 411.874863

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CC2=CC=CC=C2)S(=O)(=O)C3=C(C=C(C(=C3)C(=O)O)Cl)F

Isomeric SMILES

C1CN(CCC1CC2=CC=CC=C2)S(=O)(=O)C3=C(C=C(C(=C3)C(=O)O)Cl)F

InChI

InChI=1S/C19H19ClFNO4S/c20-16-12-17(21)18(11-15(16)19(23)24)27(25,26)22-8-6-14(7-9-22)10-13-4-2-1-3-5-13/h1-5,11-12,14H,6-10H2,(H,23,24)