2-[[2-methyl-5-(trifluoromethylsulfonyl)phenyl]amino]benzoic acid

Systemtic Name: 2-[[2-methyl-5-(trifluoromethylsulfonyl)phenyl]amino]benzoic acid Openeye Name: 2-[2-methyl-5-(trifluoromethylsulfonyl)anilino]benzoic acid CAS Name: 2-[2-methyl-5-(trifluoromethylsulfonyl)anilino]benzoic acid IUPAC Name: 2-[2-methyl-5-(trifluoromethylsulfonyl)anilino]benzoic acid Traditional Name: 2-(2-methyl-5-triflyl-anilino)benzoic acid Formula: C15H12F3NO4S MolecularWeight: 359.32029

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)C(F)(F)F)NC2=CC=CC=C2C(=O)O

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)C(F)(F)F)NC2=CC=CC=C2C(=O)O

InChI

InChI=1S/C15H12F3NO4S/c1-9-6-7-10(24(22,23)15(16,17)18)8-13(9)19-12-5-3-2-4-11(12)14(20)21/h2-8,19H,1H3,(H,20,21)