bis[(4-nitrophenyl)methyl] 5-ethanoylsulfanylpiperidine-1,2-dicarboxylate

Systemtic Name: bis[(4-nitrophenyl)methyl] 5-ethanoylsulfanylpiperidine-1,2-dicarboxylate Openeye Name: bis[(4-nitrophenyl)methyl] 5-acetylsulfanylpiperidine-1,2-dicarboxylate CAS Name: 5-(acetylthio)piperidine-1,2-dicarboxylic acid bis[(4-nitrophenyl)methyl] ester IUPAC Name: bis[(4-nitrophenyl)methyl] 5-acetylsulfanylpiperidine-1,2-dicarboxylate Traditional Name: 5-(acetylthio)piperidine-1,2-dicarboxylic acid bis(4-nitrobenzyl) ester Formula: C23H23N3O9S MolecularWeight: 517.50842

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SC1CCC(N(C1)C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC(=O)SC1CCC(N(C1)C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C23H23N3O9S/c1-15(27)36-20-10-11-21(22(28)34-13-16-2-6-18(7-3-16)25(30)31)24(12-20)23(29)35-14-17-4-8-19(9-5-17)26(32)33/h2-9,20-21H,10-14H2,1H3