2-[(2-methyl-1-methylsulfanyl-propan-2-yl)carbamoyl]-3-(trifluoromethylsulfonyloxy)benzoic acid

Systemtic Name: 2-[(2-methyl-1-methylsulfanyl-propan-2-yl)carbamoyl]-3-(trifluoromethylsulfonyloxy)benzoic acid Openeye Name: 2-[(1,1-dimethyl-2-methylsulfanyl-ethyl)carbamoyl]-3-(trifluoromethylsulfonyloxy)benzoic acid CAS Name: 2-[[[2-methyl-1-(methylthio)propan-2-yl]amino]-oxomethyl]-3-(trifluoromethylsulfonyloxy)benzoic acid IUPAC Name: 2-[(2-methyl-1-methylsulfanylpropan-2-yl)carbamoyl]-3-(trifluoromethylsulfonyloxy)benzoic acid Traditional Name: 2-[[1,1-dimethyl-2-(methylthio)ethyl]carbamoyl]-3-triflyloxy-benzoic acid Formula: C14H16F3NO6S2 MolecularWeight: 415.40515

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CSC)NC(=O)C1=C(C=CC=C1OS(=O)(=O)C(F)(F)F)C(=O)O

Isomeric SMILES

CC(C)(CSC)NC(=O)C1=C(C=CC=C1OS(=O)(=O)C(F)(F)F)C(=O)O

InChI

InChI=1S/C14H16F3NO6S2/c1-13(2,7-25-3)18-11(19)10-8(12(20)21)5-4-6-9(10)24-26(22,23)14(15,16)17/h4-6H,7H2,1-3H3,(H,18,19)(H,20,21)