1-[[3-fluoranyl-4-[5-(1-methylsulfonylpiperidin-4-yl)-1-benzofuran-2-yl]phenyl]methyl]azetidine-3-carboxylic acid

Systemtic Name: 1-[[3-fluoranyl-4-[5-(1-methylsulfonylpiperidin-4-yl)-1-benzofuran-2-yl]phenyl]methyl]azetidine-3-carboxylic acid Openeye Name: 1-[[3-fluoro-4-[5-(1-methylsulfonyl-4-piperidyl)benzofuran-2-yl]phenyl]methyl]azetidine-3-carboxylic acid CAS Name: 1-[[3-fluoro-4-[5-(1-methylsulfonyl-4-piperidinyl)-2-benzofuranyl]phenyl]methyl]-3-azetidinecarboxylic acid IUPAC Name: 1-[[3-fluoro-4-[5-(1-methylsulfonylpiperidin-4-yl)-1-benzofuran-2-yl]phenyl]methyl]azetidine-3-carboxylic acid Traditional Name: 1-[3-fluoro-4-[5-(1-mesyl-4-piperidyl)benzofuran-2-yl]benzyl]azetidine-3-carboxylic acid Formula: C25H27FN2O5S MolecularWeight: 486.555683

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCC(CC1)C2=CC3=C(C=C2)OC(=C3)C4=C(C=C(C=C4)CN5CC(C5)C(=O)O)F

Isomeric SMILES

CS(=O)(=O)N1CCC(CC1)C2=CC3=C(C=C2)OC(=C3)C4=C(C=C(C=C4)CN5CC(C5)C(=O)O)F

InChI

InChI=1S/C25H27FN2O5S/c1-34(31,32)28-8-6-17(7-9-28)18-3-5-23-19(11-18)12-24(33-23)21-4-2-16(10-22(21)26)13-27-14-20(15-27)25(29)30/h2-5,10-12,17,20H,6-9,13-15H2,1H3,(H,29,30)