(4-nitrophenyl)methyl 4-(phenylcarbonylsulfanyl)-2-piperazin-1-ylcarbonyl-pyrrolidine-1-carboxylate

Systemtic Name: (4-nitrophenyl)methyl 4-(phenylcarbonylsulfanyl)-2-piperazin-1-ylcarbonyl-pyrrolidine-1-carboxylate Openeye Name: (4-nitrophenyl)methyl 4-benzoylsulfanyl-2-(piperazine-1-carbonyl)pyrrolidine-1-carboxylate CAS Name: 4-(benzoylthio)-2-[oxo(1-piperazinyl)methyl]-1-pyrrolidinecarboxylic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 4-benzoylsulfanyl-2-(piperazine-1-carbonyl)pyrrolidine-1-carboxylate Traditional Name: 4-(benzoylthio)-2-(piperazine-1-carbonyl)pyrrolidine-1-carboxylic acid (4-nitrobenzyl) ester Formula: C24H26N4O6S MolecularWeight: 498.55144

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1)C(=O)C2CC(CN2C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-])SC(=O)C4=CC=CC=C4

Isomeric SMILES

C1CN(CCN1)C(=O)C2CC(CN2C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-])SC(=O)C4=CC=CC=C4

InChI

InChI=1S/C24H26N4O6S/c29-22(26-12-10-25-11-13-26)21-14-20(35-23(30)18-4-2-1-3-5-18)15-27(21)24(31)34-16-17-6-8-19(9-7-17)28(32)33/h1-9,20-21,25H,10-16H2