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

Systemtic Name: 2-[2-methyl-1-[[4-methylsulfonyl-2-(trifluoromethyl)phenyl]methyl]indol-3-yl]ethanoic acid Openeye Name: 2-[2-methyl-1-[[4-methylsulfonyl-2-(trifluoromethyl)phenyl]methyl]indol-3-yl]acetic acid CAS Name: 2-[2-methyl-1-[[4-methylsulfonyl-2-(trifluoromethyl)phenyl]methyl]-3-indolyl]acetic acid IUPAC Name: 2-[2-methyl-1-[[4-methylsulfonyl-2-(trifluoromethyl)phenyl]methyl]indol-3-yl]acetic acid Traditional Name: 2-[1-[4-mesyl-2-(trifluoromethyl)benzyl]-2-methyl-indol-3-yl]acetic acid Formula: C20H18F3NO4S MolecularWeight: 425.42143

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=CC=CC=C2N1CC3=C(C=C(C=C3)S(=O)(=O)C)C(F)(F)F)CC(=O)O

Isomeric SMILES

CC1=C(C2=CC=CC=C2N1CC3=C(C=C(C=C3)S(=O)(=O)C)C(F)(F)F)CC(=O)O

InChI

InChI=1S/C20H18F3NO4S/c1-12-16(10-19(25)26)15-5-3-4-6-18(15)24(12)11-13-7-8-14(29(2,27)28)9-17(13)20(21,22)23/h3-9H,10-11H2,1-2H3,(H,25,26)