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

Systemtic Name: 2-[2-methyl-3-(4-methylsulfonylphenoxy)-5-(trifluoromethyl)indol-1-yl]ethanoic acid Openeye Name: 2-[2-methyl-3-(4-methylsulfonylphenoxy)-5-(trifluoromethyl)indol-1-yl]acetic acid CAS Name: 2-[2-methyl-3-(4-methylsulfonylphenoxy)-5-(trifluoromethyl)-1-indolyl]acetic acid IUPAC Name: 2-[2-methyl-3-(4-methylsulfonylphenoxy)-5-(trifluoromethyl)indol-1-yl]acetic acid Traditional Name: 2-[3-(4-mesylphenoxy)-2-methyl-5-(trifluoromethyl)indol-1-yl]acetic acid Formula: C19H16F3NO5S MolecularWeight: 427.39425

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(N1CC(=O)O)C=CC(=C2)C(F)(F)F)OC3=CC=C(C=C3)S(=O)(=O)C

Isomeric SMILES

CC1=C(C2=C(N1CC(=O)O)C=CC(=C2)C(F)(F)F)OC3=CC=C(C=C3)S(=O)(=O)C

InChI

InChI=1S/C19H16F3NO5S/c1-11-18(28-13-4-6-14(7-5-13)29(2,26)27)15-9-12(19(20,21)22)3-8-16(15)23(11)10-17(24)25/h3-9H,10H2,1-2H3,(H,24,25)