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

Systemtic Name: [(2S)-4-methylsulfonyl-1-oxidanylidene-1-[(phenylmethyl)amino]butan-2-yl]azanium Openeye Name: [(1S)-1-(benzylcarbamoyl)-3-methylsulfonyl-propyl]ammonium CAS Name: [(2S)-4-methylsulfonyl-1-oxo-1-[(phenylmethyl)amino]butan-2-yl]ammonium IUPAC Name: [(2S)-1-(benzylamino)-4-methylsulfonyl-1-oxobutan-2-yl]azanium Traditional Name: [(1S)-1-(benzylcarbamoyl)-3-mesyl-propyl]ammonium Formula: C12H19N2O3S+ MolecularWeight: 271.35586

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)CCC(C(=O)NCC1=CC=CC=C1)[NH3+]

Isomeric SMILES

CS(=O)(=O)CC[C@@H](C(=O)NCC1=CC=CC=C1)[NH3+]

InChI

InChI=1S/C12H18N2O3S/c1-18(16,17)8-7-11(13)12(15)14-9-10-5-3-2-4-6-10/h2-6,11H,7-9,13H2,1H3,(H,14,15)/p+1/t11-/m0/s1