[(2S)-1-(1,3-benzodioxol-5-ylamino)-4-methylsulfonyl-1-oxidanylidene-butan-2-yl]azanium

Systemtic Name: [(2S)-1-(1,3-benzodioxol-5-ylamino)-4-methylsulfonyl-1-oxidanylidene-butan-2-yl]azanium Openeye Name: [(1S)-1-(1,3-benzodioxol-5-ylcarbamoyl)-3-methylsulfonyl-propyl]ammonium CAS Name: [(2S)-1-(1,3-benzodioxol-5-ylamino)-4-methylsulfonyl-1-oxobutan-2-yl]ammonium IUPAC Name: [(2S)-1-(1,3-benzodioxol-5-ylamino)-4-methylsulfonyl-1-oxobutan-2-yl]azanium Traditional Name: [(1S)-1-(1,3-benzodioxol-5-ylcarbamoyl)-3-mesyl-propyl]ammonium Formula: C12H17N2O5S+ MolecularWeight: 301.33878

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)CCC(C(=O)NC1=CC2=C(C=C1)OCO2)[NH3+]

Isomeric SMILES

CS(=O)(=O)CC[C@@H](C(=O)NC1=CC2=C(C=C1)OCO2)[NH3+]

InChI

InChI=1S/C12H16N2O5S/c1-20(16,17)5-4-9(13)12(15)14-8-2-3-10-11(6-8)19-7-18-10/h2-3,6,9H,4-5,7,13H2,1H3,(H,14,15)/p+1/t9-/m0/s1