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

Systemtic Name: (4-nitrophenyl)methyl (2S,4R)-2-(dimethylcarbamoyl)-4-methylsulfonyloxy-pyrrolidine-1-carboxylate Openeye Name: (4-nitrophenyl)methyl (2S,4R)-2-(dimethylcarbamoyl)-4-methylsulfonyloxy-pyrrolidine-1-carboxylate CAS Name: (2S,4R)-2-[dimethylamino(oxo)methyl]-4-methylsulfonyloxy-1-pyrrolidinecarboxylic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl (2S,4R)-2-(dimethylcarbamoyl)-4-methylsulfonyloxypyrrolidine-1-carboxylate Traditional Name: (2S,4R)-2-(dimethylcarbamoyl)-4-methylsulfonyloxy-pyrrolidine-1-carboxylic acid (4-nitrobenzyl) ester Formula: C16H21N3O8S MolecularWeight: 415.41824

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(=O)C1CC(CN1C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])OS(=O)(=O)C

Isomeric SMILES

CN(C)C(=O)[C@@H]1C[C@H](CN1C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])OS(=O)(=O)C

InChI

InChI=1S/C16H21N3O8S/c1-17(2)15(20)14-8-13(27-28(3,24)25)9-18(14)16(21)26-10-11-4-6-12(7-5-11)19(22)23/h4-7,13-14H,8-10H2,1-3H3/t13-,14+/m1/s1