tert-butyl 5-oxidanylidene-6-(phenylsulfonyl)-7-azabicyclo[4.1.0]heptane-7-carboxylate

Systemtic Name: tert-butyl 5-oxidanylidene-6-(phenylsulfonyl)-7-azabicyclo[4.1.0]heptane-7-carboxylate Openeye Name: tert-butyl 6-(benzenesulfonyl)-5-oxo-7-azabicyclo[4.1.0]heptane-7-carboxylate CAS Name: 6-(benzenesulfonyl)-5-oxo-7-azabicyclo[4.1.0]heptane-7-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 6-(benzenesulfonyl)-5-oxo-7-azabicyclo[4.1.0]heptane-7-carboxylate Traditional Name: 6-besyl-5-keto-7-azabicyclo[4.1.0]heptane-7-carboxylic acid tert-butyl ester Formula: C17H21NO5S MolecularWeight: 351.41734

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1C2C1(C(=O)CCC2)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CC(C)(C)OC(=O)N1C2C1(C(=O)CCC2)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C17H21NO5S/c1-16(2,3)23-15(20)18-13-10-7-11-14(19)17(13,18)24(21,22)12-8-5-4-6-9-12/h4-6,8-9,13H,7,10-11H2,1-3H3