2-[2-methyl-5-(trifluoromethylsulfonylamino)indol-1-yl]ethanoic acid

Systemtic Name: 2-[2-methyl-5-(trifluoromethylsulfonylamino)indol-1-yl]ethanoic acid Openeye Name: 2-[2-methyl-5-(trifluoromethylsulfonylamino)indol-1-yl]acetic acid CAS Name: 2-[2-methyl-5-(trifluoromethylsulfonylamino)-1-indolyl]acetic acid IUPAC Name: 2-[2-methyl-5-(trifluoromethylsulfonylamino)indol-1-yl]acetic acid Traditional Name: 2-[2-methyl-5-(triflylamino)indol-1-yl]acetic acid Formula: C12H11F3N2O4S MolecularWeight: 336.28695

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(N1CC(=O)O)C=CC(=C2)NS(=O)(=O)C(F)(F)F

Isomeric SMILES

CC1=CC2=C(N1CC(=O)O)C=CC(=C2)NS(=O)(=O)C(F)(F)F

InChI

InChI=1S/C12H11F3N2O4S/c1-7-4-8-5-9(16-22(20,21)12(13,14)15)2-3-10(8)17(7)6-11(18)19/h2-5,16H,6H2,1H3,(H,18,19)