[2-aminocarbonyl-3-(1-methylsulfanylpropan-2-ylcarbamoyl)phenyl] tris(fluoranyl)methanesulfonate

Systemtic Name: [2-aminocarbonyl-3-(1-methylsulfanylpropan-2-ylcarbamoyl)phenyl] tris(fluoranyl)methanesulfonate Openeye Name: [2-carbamoyl-3-[(1-methyl-2-methylsulfanyl-ethyl)carbamoyl]phenyl] trifluoromethanesulfonate CAS Name: trifluoromethanesulfonic acid [2-carbamoyl-3-[[1-(methylthio)propan-2-ylamino]-oxomethyl]phenyl] ester IUPAC Name: [2-carbamoyl-3-(1-methylsulfanylpropan-2-ylcarbamoyl)phenyl] trifluoromethanesulfonate Traditional Name: trifluoromethanesulfonic acid [2-carbamoyl-3-[[1-methyl-2-(methylthio)ethyl]carbamoyl]phenyl] ester Formula: C13H15F3N2O5S2 MolecularWeight: 400.39381

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Descriptors Computed from Structure

Canonical SMILES:

CC(CSC)NC(=O)C1=C(C(=CC=C1)OS(=O)(=O)C(F)(F)F)C(=O)N

Isomeric SMILES

CC(CSC)NC(=O)C1=C(C(=CC=C1)OS(=O)(=O)C(F)(F)F)C(=O)N

InChI

InChI=1S/C13H15F3N2O5S2/c1-7(6-24-2)18-12(20)8-4-3-5-9(10(8)11(17)19)23-25(21,22)13(14,15)16/h3-5,7H,6H2,1-2H3,(H2,17,19)(H,18,20)