2-[2-methyl-3-[[3-(trifluoromethylsulfonyl)phenyl]carbamoyl]phenyl]ethanoic acid

Systemtic Name: 2-[2-methyl-3-[[3-(trifluoromethylsulfonyl)phenyl]carbamoyl]phenyl]ethanoic acid Openeye Name: 2-[2-methyl-3-[[3-(trifluoromethylsulfonyl)phenyl]carbamoyl]phenyl]acetic acid CAS Name: 2-[2-methyl-3-[oxo-[3-(trifluoromethylsulfonyl)anilino]methyl]phenyl]acetic acid IUPAC Name: 2-[2-methyl-3-[[3-(trifluoromethylsulfonyl)phenyl]carbamoyl]phenyl]acetic acid Traditional Name: 2-[2-methyl-3-[(3-triflylphenyl)carbamoyl]phenyl]acetic acid Formula: C17H14F3NO5S MolecularWeight: 401.35697

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1CC(=O)O)C(=O)NC2=CC(=CC=C2)S(=O)(=O)C(F)(F)F

Isomeric SMILES

CC1=C(C=CC=C1CC(=O)O)C(=O)NC2=CC(=CC=C2)S(=O)(=O)C(F)(F)F

InChI

InChI=1S/C17H14F3NO5S/c1-10-11(8-15(22)23)4-2-7-14(10)16(24)21-12-5-3-6-13(9-12)27(25,26)17(18,19)20/h2-7,9H,8H2,1H3,(H,21,24)(H,22,23)