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

Systemtic Name: (4-nitrophenyl)methyl 4-[1-[(4-nitrophenyl)methoxycarbonyl]-4-sulfanyl-pyrrolidin-2-yl]piperidine-1-carboxylate Openeye Name: (4-nitrophenyl)methyl 4-[1-[(4-nitrophenyl)methoxycarbonyl]-4-sulfanyl-pyrrolidin-2-yl]piperidine-1-carboxylate CAS Name: 4-[4-mercapto-1-[(4-nitrophenyl)methoxy-oxomethyl]-2-pyrrolidinyl]-1-piperidinecarboxylic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 4-[1-[(4-nitrophenyl)methoxycarbonyl]-4-sulfanylpyrrolidin-2-yl]piperidine-1-carboxylate Traditional Name: 4-[4-mercapto-1-(4-nitrobenzyl)oxycarbonyl-pyrrolidin-2-yl]piperidine-1-carboxylic acid (4-nitrobenzyl) ester Formula: C25H28N4O8S MolecularWeight: 544.57682

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C2CC(CN2C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-])S)C(=O)OCC4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCC1C2CC(CN2C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-])S)C(=O)OCC4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C25H28N4O8S/c30-24(36-15-17-1-5-20(6-2-17)28(32)33)26-11-9-19(10-12-26)23-13-22(38)14-27(23)25(31)37-16-18-3-7-21(8-4-18)29(34)35/h1-8,19,22-23,38H,9-16H2