(4-nitrophenyl)methyl 2-[(2-azanyl-2-oxidanylidene-ethyl)sulfanylmethyl]-4-methylsulfonyloxy-pyrrolidine-1-carboxylate

Systemtic Name: (4-nitrophenyl)methyl 2-[(2-azanyl-2-oxidanylidene-ethyl)sulfanylmethyl]-4-methylsulfonyloxy-pyrrolidine-1-carboxylate Openeye Name: (4-nitrophenyl)methyl 2-[(2-amino-2-oxo-ethyl)sulfanylmethyl]-4-methylsulfonyloxy-pyrrolidine-1-carboxylate CAS Name: 2-[[(2-amino-2-oxoethyl)thio]methyl]-4-methylsulfonyloxy-1-pyrrolidinecarboxylic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 2-[(2-amino-2-oxoethyl)sulfanylmethyl]-4-methylsulfonyloxypyrrolidine-1-carboxylate Traditional Name: 2-[[(2-amino-2-keto-ethyl)thio]methyl]-4-methylsulfonyloxy-pyrrolidine-1-carboxylic acid (4-nitrobenzyl) ester Formula: C16H21N3O8S2 MolecularWeight: 447.48324

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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-])CSCC(=O)N

Isomeric SMILES

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

InChI

InChI=1S/C16H21N3O8S2/c1-29(24,25)27-14-6-13(9-28-10-15(17)20)18(7-14)16(21)26-8-11-2-4-12(5-3-11)19(22)23/h2-5,13-14H,6-10H2,1H3,(H2,17,20)