[(2S)-4-methylsulfonyl-1-oxidanylidene-1-[[2-(trifluoromethyl)phenyl]amino]butan-2-yl]azanium

Systemtic Name: [(2S)-4-methylsulfonyl-1-oxidanylidene-1-[[2-(trifluoromethyl)phenyl]amino]butan-2-yl]azanium Openeye Name: [(1S)-3-methylsulfonyl-1-[[2-(trifluoromethyl)phenyl]carbamoyl]propyl]ammonium CAS Name: [(2S)-4-methylsulfonyl-1-oxo-1-[2-(trifluoromethyl)anilino]butan-2-yl]ammonium IUPAC Name: [(2S)-4-methylsulfonyl-1-oxo-1-[2-(trifluoromethyl)anilino]butan-2-yl]azanium Traditional Name: [(1S)-3-mesyl-1-[[2-(trifluoromethyl)phenyl]carbamoyl]propyl]ammonium Formula: C12H16F3N2O3S+ MolecularWeight: 325.32725

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)CCC(C(=O)NC1=CC=CC=C1C(F)(F)F)[NH3+]

Isomeric SMILES

CS(=O)(=O)CC[C@@H](C(=O)NC1=CC=CC=C1C(F)(F)F)[NH3+]

InChI

InChI=1S/C12H15F3N2O3S/c1-21(19,20)7-6-9(16)11(18)17-10-5-3-2-4-8(10)12(13,14)15/h2-5,9H,6-7,16H2,1H3,(H,17,18)/p+1/t9-/m0/s1