(4-nitrophenyl)methyl (2S,4R)-2-(2-bromanylethanoyl)-4-methylsulfonyloxy-pyrrolidine-1-carboxylate

Systemtic Name: (4-nitrophenyl)methyl (2S,4R)-2-(2-bromanylethanoyl)-4-methylsulfonyloxy-pyrrolidine-1-carboxylate Openeye Name: (4-nitrophenyl)methyl (2S,4R)-2-(2-bromoacetyl)-4-methylsulfonyloxy-pyrrolidine-1-carboxylate CAS Name: (2S,4R)-2-(2-bromo-1-oxoethyl)-4-methylsulfonyloxy-1-pyrrolidinecarboxylic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl (2S,4R)-2-(2-bromoacetyl)-4-methylsulfonyloxypyrrolidine-1-carboxylate Traditional Name: (2S,4R)-2-(2-bromoacetyl)-4-methylsulfonyloxy-pyrrolidine-1-carboxylic acid (4-nitrobenzyl) ester Formula: C15H17BrN2O8S MolecularWeight: 465.27308

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)OC1CC(N(C1)C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])C(=O)CBr

Isomeric SMILES

CS(=O)(=O)O[C@@H]1C[C@H](N(C1)C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])C(=O)CBr

InChI

InChI=1S/C15H17BrN2O8S/c1-27(23,24)26-12-6-13(14(19)7-16)17(8-12)15(20)25-9-10-2-4-11(5-3-10)18(21)22/h2-5,12-13H,6-9H2,1H3/t12-,13+/m1/s1