(phenylmethyl) 3-azanyl-1-(methylsulfonylcarbamoyl)-2-oxidanylidene-azetidine-3-carboxylate

Systemtic Name: (phenylmethyl) 3-azanyl-1-(methylsulfonylcarbamoyl)-2-oxidanylidene-azetidine-3-carboxylate Openeye Name: benzyl 3-amino-1-(methylsulfonylcarbamoyl)-2-oxo-azetidine-3-carboxylate CAS Name: 3-amino-1-[methanesulfonamido(oxo)methyl]-2-oxo-3-azetidinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 3-amino-1-(methylsulfonylcarbamoyl)-2-oxoazetidine-3-carboxylate Traditional Name: 3-amino-2-keto-1-(mesylcarbamoyl)azetidine-3-carboxylic acid benzyl ester Formula: C13H15N3O6S MolecularWeight: 341.3397

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)NC(=O)N1CC(C1=O)(C(=O)OCC2=CC=CC=C2)N

Isomeric SMILES

CS(=O)(=O)NC(=O)N1CC(C1=O)(C(=O)OCC2=CC=CC=C2)N

InChI

InChI=1S/C13H15N3O6S/c1-23(20,21)15-12(19)16-8-13(14,10(16)17)11(18)22-7-9-5-3-2-4-6-9/h2-6H,7-8,14H2,1H3,(H,15,19)