[(2S)-1-[2-(2-fluorophenyl)ethylamino]-4-methylsulfonyl-1-oxidanylidene-butan-2-yl]azanium

Systemtic Name: [(2S)-1-[2-(2-fluorophenyl)ethylamino]-4-methylsulfonyl-1-oxidanylidene-butan-2-yl]azanium Openeye Name: [(1S)-1-[2-(2-fluorophenyl)ethylcarbamoyl]-3-methylsulfonyl-propyl]ammonium CAS Name: [(2S)-1-[2-(2-fluorophenyl)ethylamino]-4-methylsulfonyl-1-oxobutan-2-yl]ammonium IUPAC Name: [(2S)-1-[2-(2-fluorophenyl)ethylamino]-4-methylsulfonyl-1-oxobutan-2-yl]azanium Traditional Name: [(1S)-1-[2-(2-fluorophenyl)ethylcarbamoyl]-3-mesyl-propyl]ammonium Formula: C13H20FN2O3S+ MolecularWeight: 303.372903

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)CCC(C(=O)NCCC1=CC=CC=C1F)[NH3+]

Isomeric SMILES

CS(=O)(=O)CC[C@@H](C(=O)NCCC1=CC=CC=C1F)[NH3+]

InChI

InChI=1S/C13H19FN2O3S/c1-20(18,19)9-7-12(15)13(17)16-8-6-10-4-2-3-5-11(10)14/h2-5,12H,6-9,15H2,1H3,(H,16,17)/p+1/t12-/m0/s1