2-[5-fluoranyl-2-methyl-1-(6-phenoxypyridin-3-yl)sulfonyl-indol-3-yl]ethanoic acid

Systemtic Name: 2-[5-fluoranyl-2-methyl-1-(6-phenoxypyridin-3-yl)sulfonyl-indol-3-yl]ethanoic acid Openeye Name: 2-[5-fluoro-2-methyl-1-[(6-phenoxy-3-pyridyl)sulfonyl]indol-3-yl]acetic acid CAS Name: 2-[5-fluoro-2-methyl-1-[(6-phenoxy-3-pyridinyl)sulfonyl]-3-indolyl]acetic acid IUPAC Name: 2-[5-fluoro-2-methyl-1-(6-phenoxypyridin-3-yl)sulfonylindol-3-yl]acetic acid Traditional Name: 2-[5-fluoro-2-methyl-1-[(6-phenoxy-3-pyridyl)sulfonyl]indol-3-yl]acetic acid Formula: C22H17FN2O5S MolecularWeight: 440.444183

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(N1S(=O)(=O)C3=CN=C(C=C3)OC4=CC=CC=C4)C=CC(=C2)F)CC(=O)O

Isomeric SMILES

CC1=C(C2=C(N1S(=O)(=O)C3=CN=C(C=C3)OC4=CC=CC=C4)C=CC(=C2)F)CC(=O)O

InChI

InChI=1S/C22H17FN2O5S/c1-14-18(12-22(26)27)19-11-15(23)7-9-20(19)25(14)31(28,29)17-8-10-21(24-13-17)30-16-5-3-2-4-6-16/h2-11,13H,12H2,1H3,(H,26,27)