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

Systemtic Name: 2-[5-fluoranyl-2-methyl-1-[3-(trifluoromethylsulfonyl)phenyl]sulfonyl-indol-3-yl]ethanoic acid Openeye Name: 2-[5-fluoro-2-methyl-1-[3-(trifluoromethylsulfonyl)phenyl]sulfonyl-indol-3-yl]acetic acid CAS Name: 2-[5-fluoro-2-methyl-1-[3-(trifluoromethylsulfonyl)phenyl]sulfonyl-3-indolyl]acetic acid IUPAC Name: 2-[5-fluoro-2-methyl-1-[3-(trifluoromethylsulfonyl)phenyl]sulfonylindol-3-yl]acetic acid Traditional Name: 2-[5-fluoro-2-methyl-1-(3-triflylphenyl)sulfonyl-indol-3-yl]acetic acid Formula: C18H13F4NO6S2 MolecularWeight: 479.422533

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(N1S(=O)(=O)C3=CC=CC(=C3)S(=O)(=O)C(F)(F)F)C=CC(=C2)F)CC(=O)O

Isomeric SMILES

CC1=C(C2=C(N1S(=O)(=O)C3=CC=CC(=C3)S(=O)(=O)C(F)(F)F)C=CC(=C2)F)CC(=O)O

InChI

InChI=1S/C18H13F4NO6S2/c1-10-14(9-17(24)25)15-7-11(19)5-6-16(15)23(10)31(28,29)13-4-2-3-12(8-13)30(26,27)18(20,21)22/h2-8H,9H2,1H3,(H,24,25)