2-[2-methyl-5-methylsulfonyl-3-[8-(trifluoromethyl)quinolin-4-yl]indol-1-yl]ethanoic acid

Systemtic Name: 2-[2-methyl-5-methylsulfonyl-3-[8-(trifluoromethyl)quinolin-4-yl]indol-1-yl]ethanoic acid Openeye Name: 2-[2-methyl-5-methylsulfonyl-3-[8-(trifluoromethyl)-4-quinolyl]indol-1-yl]acetic acid CAS Name: 2-[2-methyl-5-methylsulfonyl-3-[8-(trifluoromethyl)-4-quinolinyl]-1-indolyl]acetic acid IUPAC Name: 2-[2-methyl-5-methylsulfonyl-3-[8-(trifluoromethyl)quinolin-4-yl]indol-1-yl]acetic acid Traditional Name: 2-[5-mesyl-2-methyl-3-[8-(trifluoromethyl)-4-quinolyl]indol-1-yl]acetic acid Formula: C22H17F3N2O4S MolecularWeight: 462.44159

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(N1CC(=O)O)C=CC(=C2)S(=O)(=O)C)C3=C4C=CC=C(C4=NC=C3)C(F)(F)F

Isomeric SMILES

CC1=C(C2=C(N1CC(=O)O)C=CC(=C2)S(=O)(=O)C)C3=C4C=CC=C(C4=NC=C3)C(F)(F)F

InChI

InChI=1S/C22H17F3N2O4S/c1-12-20(14-8-9-26-21-15(14)4-3-5-17(21)22(23,24)25)16-10-13(32(2,30)31)6-7-18(16)27(12)11-19(28)29/h3-10H,11H2,1-2H3,(H,28,29)