(4-nitrophenyl)methyl 3-[[4-ethanoylsulfanyl-1-[(4-nitrophenyl)methoxycarbonyl]pyrrolidin-2-yl]-oxidanyl-methyl]piperidine-1-carboxylate

Systemtic Name: (4-nitrophenyl)methyl 3-[[4-ethanoylsulfanyl-1-[(4-nitrophenyl)methoxycarbonyl]pyrrolidin-2-yl]-oxidanyl-methyl]piperidine-1-carboxylate Openeye Name: (4-nitrophenyl)methyl 3-[[4-acetylsulfanyl-1-[(4-nitrophenyl)methoxycarbonyl]pyrrolidin-2-yl]-hydroxy-methyl]piperidine-1-carboxylate CAS Name: 3-[[4-(acetylthio)-1-[(4-nitrophenyl)methoxy-oxomethyl]-2-pyrrolidinyl]-hydroxymethyl]-1-piperidinecarboxylic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 3-[[4-acetylsulfanyl-1-[(4-nitrophenyl)methoxycarbonyl]pyrrolidin-2-yl]-hydroxymethyl]piperidine-1-carboxylate Traditional Name: 3-[[4-(acetylthio)-1-(4-nitrobenzyl)oxycarbonyl-pyrrolidin-2-yl]-hydroxy-methyl]piperidine-1-carboxylic acid (4-nitrobenzyl) ester Formula: C28H32N4O10S MolecularWeight: 616.63948

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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(C3CCCN(C3)C(=O)OCC4=CC=C(C=C4)[N+](=O)[O-])O

Isomeric SMILES

CC(=O)SC1CC(N(C1)C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])C(C3CCCN(C3)C(=O)OCC4=CC=C(C=C4)[N+](=O)[O-])O

InChI

InChI=1S/C28H32N4O10S/c1-18(33)43-24-13-25(30(15-24)28(36)42-17-20-6-10-23(11-7-20)32(39)40)26(34)21-3-2-12-29(14-21)27(35)41-16-19-4-8-22(9-5-19)31(37)38/h4-11,21,24-26,34H,2-3,12-17H2,1H3