(4-nitrophenyl)methyl 4-[[1-[(4-nitrophenyl)methoxycarbonyl]-4-sulfanyl-pyrrolidin-2-yl]methyl]piperazine-1-carboxylate

Systemtic Name: (4-nitrophenyl)methyl 4-[[1-[(4-nitrophenyl)methoxycarbonyl]-4-sulfanyl-pyrrolidin-2-yl]methyl]piperazine-1-carboxylate Openeye Name: (4-nitrophenyl)methyl 4-[[1-[(4-nitrophenyl)methoxycarbonyl]-4-sulfanyl-pyrrolidin-2-yl]methyl]piperazine-1-carboxylate CAS Name: 4-[[4-mercapto-1-[(4-nitrophenyl)methoxy-oxomethyl]-2-pyrrolidinyl]methyl]-1-piperazinecarboxylic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 4-[[1-[(4-nitrophenyl)methoxycarbonyl]-4-sulfanylpyrrolidin-2-yl]methyl]piperazine-1-carboxylate Traditional Name: 4-[[4-mercapto-1-(4-nitrobenzyl)oxycarbonyl-pyrrolidin-2-yl]methyl]piperazine-1-carboxylic acid (4-nitrobenzyl) ester Formula: C25H29N5O8S MolecularWeight: 559.59146

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2CC(CN2C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-])S)C(=O)OCC4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1CC2CC(CN2C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-])S)C(=O)OCC4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C25H29N5O8S/c31-24(37-16-18-1-5-20(6-2-18)29(33)34)27-11-9-26(10-12-27)14-22-13-23(39)15-28(22)25(32)38-17-19-3-7-21(8-4-19)30(35)36/h1-8,22-23,39H,9-17H2