(7-oxidanylidene-1,6-diazabicyclo[3.2.1]octan-6-yl) 4-methylbenzenesulfonate

Systemtic Name: (7-oxidanylidene-1,6-diazabicyclo[3.2.1]octan-6-yl) 4-methylbenzenesulfonate Openeye Name: (7-oxo-1,6-diazabicyclo[3.2.1]octan-6-yl) 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid (7-oxo-1,6-diazabicyclo[3.2.1]octan-6-yl) ester IUPAC Name: (7-oxo-1,6-diazabicyclo[3.2.1]octan-6-yl) 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid (7-keto-1,6-diazabicyclo[3.2.1]octan-6-yl) ester Formula: C13H16N2O4S MolecularWeight: 296.34214

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)ON2C3CCCN(C3)C2=O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)ON2C3CCCN(C3)C2=O

InChI

InChI=1S/C13H16N2O4S/c1-10-4-6-12(7-5-10)20(17,18)19-15-11-3-2-8-14(9-11)13(15)16/h4-7,11H,2-3,8-9H2,1H3