(4-nitrophenyl)methyl 4-[4-ethanoylsulfanyl-1-[(4-nitrophenyl)methoxycarbonyl]pyrrolidin-2-yl]piperidine-1-carboxylate

Systemtic Name: (4-nitrophenyl)methyl 4-[4-ethanoylsulfanyl-1-[(4-nitrophenyl)methoxycarbonyl]pyrrolidin-2-yl]piperidine-1-carboxylate Openeye Name: (4-nitrophenyl)methyl 4-[4-acetylsulfanyl-1-[(4-nitrophenyl)methoxycarbonyl]pyrrolidin-2-yl]piperidine-1-carboxylate CAS Name: 4-[4-(acetylthio)-1-[(4-nitrophenyl)methoxy-oxomethyl]-2-pyrrolidinyl]-1-piperidinecarboxylic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 4-[4-acetylsulfanyl-1-[(4-nitrophenyl)methoxycarbonyl]pyrrolidin-2-yl]piperidine-1-carboxylate Traditional Name: 4-[4-(acetylthio)-1-(4-nitrobenzyl)oxycarbonyl-pyrrolidin-2-yl]piperidine-1-carboxylic acid (4-nitrobenzyl) ester Formula: C27H30N4O9S MolecularWeight: 586.6135

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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-])C3CCN(CC3)C(=O)OCC4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CC(=O)SC1CC(N(C1)C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])C3CCN(CC3)C(=O)OCC4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C27H30N4O9S/c1-18(32)41-24-14-25(29(15-24)27(34)40-17-20-4-8-23(9-5-20)31(37)38)21-10-12-28(13-11-21)26(33)39-16-19-2-6-22(7-3-19)30(35)36/h2-9,21,24-25H,10-17H2,1H3