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

Systemtic Name: 2-[5-fluoranyl-2-methyl-1-[4-(pyrimidin-4-ylamino)phenyl]sulfonyl-indol-3-yl]ethanoic acid Openeye Name: 2-[5-fluoro-2-methyl-1-[4-(pyrimidin-4-ylamino)phenyl]sulfonyl-indol-3-yl]acetic acid CAS Name: 2-[5-fluoro-2-methyl-1-[4-(4-pyrimidinylamino)phenyl]sulfonyl-3-indolyl]acetic acid IUPAC Name: 2-[5-fluoro-2-methyl-1-[4-(pyrimidin-4-ylamino)phenyl]sulfonylindol-3-yl]acetic acid Traditional Name: 2-[5-fluoro-2-methyl-1-[4-(4-pyrimidylamino)phenyl]sulfonyl-indol-3-yl]acetic acid Formula: C21H17FN4O4S MolecularWeight: 440.447483

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H17FN4O4S/c1-13-17(11-21(27)28)18-10-14(22)2-7-19(18)26(13)31(29,30)16-5-3-15(4-6-16)25-20-8-9-23-12-24-20/h2-10,12H,11H2,1H3,(H,27,28)(H,23,24,25)