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

Systemtic Name: [(2S)-1-(1,3-benzothiazol-2-ylamino)-4-methylsulfonyl-1-oxidanylidene-butan-2-yl]azanium Openeye Name: [(1S)-1-(1,3-benzothiazol-2-ylcarbamoyl)-3-methylsulfonyl-propyl]ammonium CAS Name: [(2S)-1-(1,3-benzothiazol-2-ylamino)-4-methylsulfonyl-1-oxobutan-2-yl]ammonium IUPAC Name: [(2S)-1-(1,3-benzothiazol-2-ylamino)-4-methylsulfonyl-1-oxobutan-2-yl]azanium Traditional Name: [(1S)-1-(1,3-benzothiazol-2-ylcarbamoyl)-3-mesyl-propyl]ammonium Formula: C12H16N3O3S2+ MolecularWeight: 314.40374

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)CCC(C(=O)NC1=NC2=CC=CC=C2S1)[NH3+]

Isomeric SMILES

CS(=O)(=O)CC[C@@H](C(=O)NC1=NC2=CC=CC=C2S1)[NH3+]

InChI

InChI=1S/C12H15N3O3S2/c1-20(17,18)7-6-8(13)11(16)15-12-14-9-4-2-3-5-10(9)19-12/h2-5,8H,6-7,13H2,1H3,(H,14,15,16)/p+1/t8-/m0/s1