piperidin-4-ylmethyl (2S,5R)-7-oxidanylidene-6-sulfooxy-1,6-diazabicyclo[3.2.1]octane-2-carboxylate

Systemtic Name: piperidin-4-ylmethyl (2S,5R)-7-oxidanylidene-6-sulfooxy-1,6-diazabicyclo[3.2.1]octane-2-carboxylate Openeye Name: 4-piperidylmethyl (2S,5R)-7-oxo-6-sulfooxy-1,6-diazabicyclo[3.2.1]octane-2-carboxylate CAS Name: (2S,5R)-7-oxo-6-sulfooxy-1,6-diazabicyclo[3.2.1]octane-2-carboxylic acid 4-piperidinylmethyl ester IUPAC Name: piperidin-4-ylmethyl (2S,5R)-7-oxo-6-sulfooxy-1,6-diazabicyclo[3.2.1]octane-2-carboxylate Traditional Name: (2S,5R)-7-keto-6-sulfoxy-1,6-diazabicyclo[3.2.1]octane-2-carboxylic acid 4-piperidylmethyl ester Formula: C13H21N3O7S MolecularWeight: 363.38674

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N2CC1N(C2=O)OS(=O)(=O)O)C(=O)OCC3CCNCC3

Isomeric SMILES

C1C[C@H](N2C[C@@H]1N(C2=O)OS(=O)(=O)O)C(=O)OCC3CCNCC3

InChI

InChI=1S/C13H21N3O7S/c17-12(22-8-9-3-5-14-6-4-9)11-2-1-10-7-15(11)13(18)16(10)23-24(19,20)21/h9-11,14H,1-8H2,(H,19,20,21)/t10-,11+/m1/s1