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

Systemtic Name: 2-[5-fluoranyl-2-methyl-1-[4-(trifluoromethylsulfanyl)phenyl]sulfonyl-indol-3-yl]ethanoic acid Openeye Name: 2-[5-fluoro-2-methyl-1-[4-(trifluoromethylsulfanyl)phenyl]sulfonyl-indol-3-yl]acetic acid CAS Name: 2-[5-fluoro-2-methyl-1-[4-(trifluoromethylthio)phenyl]sulfonyl-3-indolyl]acetic acid IUPAC Name: 2-[5-fluoro-2-methyl-1-[4-(trifluoromethylsulfanyl)phenyl]sulfonylindol-3-yl]acetic acid Traditional Name: 2-[5-fluoro-2-methyl-1-[4-(trifluoromethylthio)phenyl]sulfonyl-indol-3-yl]acetic acid Formula: C18H13F4NO4S2 MolecularWeight: 447.423733

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H13F4NO4S2/c1-10-14(9-17(24)25)15-8-11(19)2-7-16(15)23(10)29(26,27)13-5-3-12(4-6-13)28-18(20,21)22/h2-8H,9H2,1H3,(H,24,25)