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

Systemtic Name: 2-[5-fluoranyl-2-methyl-1-(4-pyridin-4-yloxyphenyl)sulfonyl-indol-3-yl]ethanoic acid Openeye Name: 2-[5-fluoro-2-methyl-1-[4-(4-pyridyloxy)phenyl]sulfonyl-indol-3-yl]acetic acid CAS Name: 2-[5-fluoro-2-methyl-1-(4-pyridin-4-yloxyphenyl)sulfonyl-3-indolyl]acetic acid IUPAC Name: 2-[5-fluoro-2-methyl-1-(4-pyridin-4-yloxyphenyl)sulfonylindol-3-yl]acetic acid Traditional Name: 2-[5-fluoro-2-methyl-1-[4-(4-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=NC=C4)C=CC(=C2)F)CC(=O)O

Isomeric SMILES

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

InChI

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