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

Systemtic Name: 2-[5-fluoranyl-2-methyl-1-[4-(pyridin-2-ylamino)phenyl]sulfonyl-indol-3-yl]ethanoic acid Openeye Name: 2-[5-fluoro-2-methyl-1-[4-(2-pyridylamino)phenyl]sulfonyl-indol-3-yl]acetic acid CAS Name: 2-[5-fluoro-2-methyl-1-[4-(2-pyridinylamino)phenyl]sulfonyl-3-indolyl]acetic acid IUPAC Name: 2-[5-fluoro-2-methyl-1-[4-(pyridin-2-ylamino)phenyl]sulfonylindol-3-yl]acetic acid Traditional Name: 2-[5-fluoro-2-methyl-1-[4-(2-pyridylamino)phenyl]sulfonyl-indol-3-yl]acetic acid Formula: C22H18FN3O4S MolecularWeight: 439.459423

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(N1S(=O)(=O)C3=CC=C(C=C3)NC4=CC=CC=N4)C=CC(=C2)F)CC(=O)O

Isomeric SMILES

CC1=C(C2=C(N1S(=O)(=O)C3=CC=C(C=C3)NC4=CC=CC=N4)C=CC(=C2)F)CC(=O)O

InChI

InChI=1S/C22H18FN3O4S/c1-14-18(13-22(27)28)19-12-15(23)5-10-20(19)26(14)31(29,30)17-8-6-16(7-9-17)25-21-4-2-3-11-24-21/h2-12H,13H2,1H3,(H,24,25)(H,27,28)