(4-nitrophenyl)methyl 4-ethanoylsulfanyl-2-[2-(methylsulfonylamino)ethoxymethyl]pyrrolidine-1-carboxylate

Systemtic Name: (4-nitrophenyl)methyl 4-ethanoylsulfanyl-2-[2-(methylsulfonylamino)ethoxymethyl]pyrrolidine-1-carboxylate Openeye Name: (4-nitrophenyl)methyl 4-acetylsulfanyl-2-[2-(methanesulfonamido)ethoxymethyl]pyrrolidine-1-carboxylate CAS Name: 4-(acetylthio)-2-[2-(methanesulfonamido)ethoxymethyl]-1-pyrrolidinecarboxylic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 4-acetylsulfanyl-2-[2-(methanesulfonamido)ethoxymethyl]pyrrolidine-1-carboxylate Traditional Name: 4-(acetylthio)-2-[2-(methanesulfonamido)ethoxymethyl]pyrrolidine-1-carboxylic acid (4-nitrobenzyl) ester Formula: C18H25N3O8S2 MolecularWeight: 475.5364

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SC1CC(N(C1)C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])COCCNS(=O)(=O)C

Isomeric SMILES

CC(=O)SC1CC(N(C1)C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])COCCNS(=O)(=O)C

InChI

InChI=1S/C18H25N3O8S2/c1-13(22)30-17-9-16(12-28-8-7-19-31(2,26)27)20(10-17)18(23)29-11-14-3-5-15(6-4-14)21(24)25/h3-6,16-17,19H,7-12H2,1-2H3