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

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

Isomeric SMILES

CC1=C(C2=C(N1S(=O)(=O)C3=CC=C(C=C3)NC4=CC=NC=C4)C=CC(=C2)F)CC(=O)O

InChI

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