2-[5-fluoranyl-2-methyl-1-(4-pyridin-2-yloxyphenyl)sulfonyl-indol-3-yl]ethanoic acid

Systemtic Name: 2-[5-fluoranyl-2-methyl-1-(4-pyridin-2-yloxyphenyl)sulfonyl-indol-3-yl]ethanoic acid Openeye Name: 2-[5-fluoro-2-methyl-1-[4-(2-pyridyloxy)phenyl]sulfonyl-indol-3-yl]acetic acid CAS Name: 2-[5-fluoro-2-methyl-1-[4-(2-pyridinyloxy)phenyl]sulfonyl-3-indolyl]acetic acid IUPAC Name: 2-[5-fluoro-2-methyl-1-(4-pyridin-2-yloxyphenyl)sulfonylindol-3-yl]acetic acid Traditional Name: 2-[5-fluoro-2-methyl-1-[4-(2-pyridyloxy)phenyl]sulfonyl-indol-3-yl]acetic acid Formula: C22H17FN2O5S MolecularWeight: 440.444183

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(N1S(=O)(=O)C3=CC=C(C=C3)OC4=CC=CC=N4)C=CC(=C2)F)CC(=O)O

Isomeric SMILES

CC1=C(C2=C(N1S(=O)(=O)C3=CC=C(C=C3)OC4=CC=CC=N4)C=CC(=C2)F)CC(=O)O

InChI

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