(4-nitrophenyl)methyl 4-ethanoylsulfanyl-2-[[3-(methylsulfonylcarbamoyl)phenyl]carbamoyl]pyrrolidine-1-carboxylate

Systemtic Name: (4-nitrophenyl)methyl 4-ethanoylsulfanyl-2-[[3-(methylsulfonylcarbamoyl)phenyl]carbamoyl]pyrrolidine-1-carboxylate Openeye Name: (4-nitrophenyl)methyl 4-acetylsulfanyl-2-[[3-(methylsulfonylcarbamoyl)phenyl]carbamoyl]pyrrolidine-1-carboxylate CAS Name: 4-(acetylthio)-2-[[3-[methanesulfonamido(oxo)methyl]anilino]-oxomethyl]-1-pyrrolidinecarboxylic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 4-acetylsulfanyl-2-[[3-(methylsulfonylcarbamoyl)phenyl]carbamoyl]pyrrolidine-1-carboxylate Traditional Name: 4-(acetylthio)-2-[[3-(mesylcarbamoyl)phenyl]carbamoyl]pyrrolidine-1-carboxylic acid (4-nitrobenzyl) ester Formula: C23H24N4O9S2 MolecularWeight: 564.58806

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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-])C(=O)NC3=CC=CC(=C3)C(=O)NS(=O)(=O)C

Isomeric SMILES

CC(=O)SC1CC(N(C1)C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])C(=O)NC3=CC=CC(=C3)C(=O)NS(=O)(=O)C

InChI

InChI=1S/C23H24N4O9S2/c1-14(28)37-19-11-20(22(30)24-17-5-3-4-16(10-17)21(29)25-38(2,34)35)26(12-19)23(31)36-13-15-6-8-18(9-7-15)27(32)33/h3-10,19-20H,11-13H2,1-2H3,(H,24,30)(H,25,29)