(4-nitrophenyl)methyl 2-aminocarbonyl-4-(2-methylsulfonyloxyethylsulfanyl)pyrrolidine-1-carboxylate

Systemtic Name: (4-nitrophenyl)methyl 2-aminocarbonyl-4-(2-methylsulfonyloxyethylsulfanyl)pyrrolidine-1-carboxylate Openeye Name: (4-nitrophenyl)methyl 2-carbamoyl-4-(2-methylsulfonyloxyethylsulfanyl)pyrrolidine-1-carboxylate CAS Name: 2-carbamoyl-4-(2-methylsulfonyloxyethylthio)-1-pyrrolidinecarboxylic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 2-carbamoyl-4-(2-methylsulfonyloxyethylsulfanyl)pyrrolidine-1-carboxylate Traditional Name: 2-carbamoyl-4-(2-methylsulfonyloxyethylthio)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)OCCSC1CC(N(C1)C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])C(=O)N

Isomeric SMILES

CS(=O)(=O)OCCSC1CC(N(C1)C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])C(=O)N

InChI

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