[2-(diphenylmethyl)oxycarbonyl-3-methylsulfonyloxy-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-en-7-yl]azanium

Systemtic Name: [2-(diphenylmethyl)oxycarbonyl-3-methylsulfonyloxy-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-en-7-yl]azanium Openeye Name: (2-benzhydryloxycarbonyl-3-methylsulfonyloxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-7-yl)ammonium CAS Name: [2-[(diphenylmethyl)oxy-oxomethyl]-3-methylsulfonyloxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-7-yl]ammonium IUPAC Name: (2-benzhydryloxycarbonyl-3-methylsulfonyloxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-7-yl)azanium Traditional Name: (2-benzhydryloxycarbonyl-8-keto-3-methylsulfonyloxy-5-thia-1-azabicyclo[4.2.0]oct-2-en-7-yl)ammonium Formula: C21H21N2O6S2+ MolecularWeight: 461.53124

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)OC1=C(N2C(C(C2=O)[NH3+])SC1)C(=O)OC(C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CS(=O)(=O)OC1=C(N2C(C(C2=O)[NH3+])SC1)C(=O)OC(C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C21H20N2O6S2/c1-31(26,27)29-15-12-30-20-16(22)19(24)23(20)17(15)21(25)28-18(13-8-4-2-5-9-13)14-10-6-3-7-11-14/h2-11,16,18,20H,12,22H2,1H3/p+1