methyl (1R,2R,4S,5S,6R)-5-bromanyl-2-[(4-nitrophenyl)sulfonyloxymethyl]-6-oxidanyl-3-azabicyclo[2.1.1]hexane-3-carboxylate

Systemtic Name: methyl (1R,2R,4S,5S,6R)-5-bromanyl-2-[(4-nitrophenyl)sulfonyloxymethyl]-6-oxidanyl-3-azabicyclo[2.1.1]hexane-3-carboxylate Openeye Name: methyl (1R,2R,4S,5S,6R)-5-bromo-6-hydroxy-2-[(4-nitrophenyl)sulfonyloxymethyl]-3-azabicyclo[2.1.1]hexane-3-carboxylate CAS Name: (1R,2R,4S,5S,6R)-5-bromo-6-hydroxy-2-[(4-nitrophenyl)sulfonyloxymethyl]-3-azabicyclo[2.1.1]hexane-3-carboxylic acid methyl ester IUPAC Name: methyl (1R,2R,4S,5S,6R)-5-bromo-6-hydroxy-2-[(4-nitrophenyl)sulfonyloxymethyl]-3-azabicyclo[2.1.1]hexane-3-carboxylate Traditional Name: (1R,2R,4S,5S,6R)-5-bromo-6-hydroxy-2-(nosyloxymethyl)-3-azabicyclo[2.1.1]hexane-3-carboxylic acid methyl ester Formula: C14H15BrN2O8S MolecularWeight: 451.2465

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)N1C(C2C(C1C2Br)O)COS(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

COC(=O)N1[C@H]([C@@H]2[C@H]([C@H]1[C@H]2Br)O)COS(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C14H15BrN2O8S/c1-24-14(19)16-9(10-11(15)12(16)13(10)18)6-25-26(22,23)8-4-2-7(3-5-8)17(20)21/h2-5,9-13,18H,6H2,1H3/t9-,10-,11-,12+,13+/m0/s1