(phenylmethyl) (2S,5S)-7-oxidanylidene-6-sulfooxy-1,6-diazabicyclo[3.2.1]octane-2-carboxylate

Systemtic Name: (phenylmethyl) (2S,5S)-7-oxidanylidene-6-sulfooxy-1,6-diazabicyclo[3.2.1]octane-2-carboxylate Openeye Name: benzyl (2S,5S)-7-oxo-6-sulfooxy-1,6-diazabicyclo[3.2.1]octane-2-carboxylate CAS Name: (2S,5S)-7-oxo-6-sulfooxy-1,6-diazabicyclo[3.2.1]octane-2-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl (2S,5S)-7-oxo-6-sulfooxy-1,6-diazabicyclo[3.2.1]octane-2-carboxylate Traditional Name: (2S,5S)-7-keto-6-sulfoxy-1,6-diazabicyclo[3.2.1]octane-2-carboxylic acid benzyl ester Formula: C14H16N2O7S MolecularWeight: 356.35104

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N2CC1N(C2=O)OS(=O)(=O)O)C(=O)OCC3=CC=CC=C3

Isomeric SMILES

C1C[C@H](N2C[C@H]1N(C2=O)OS(=O)(=O)O)C(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C14H16N2O7S/c17-13(22-9-10-4-2-1-3-5-10)12-7-6-11-8-15(12)14(18)16(11)23-24(19,20)21/h1-5,11-12H,6-9H2,(H,19,20,21)/t11-,12-/m0/s1