(4-nitrophenyl)methyl 2-[4-(4-sulfanylpyrrolidin-2-yl)carbonylpiperazin-1-yl]ethyl carbonate

Systemtic Name: (4-nitrophenyl)methyl 2-[4-(4-sulfanylpyrrolidin-2-yl)carbonylpiperazin-1-yl]ethyl carbonate Openeye Name: (4-nitrophenyl)methyl 2-[4-(4-sulfanylpyrrolidine-2-carbonyl)piperazin-1-yl]ethyl carbonate CAS Name: carbonic acid 2-[4-[(4-mercapto-2-pyrrolidinyl)-oxomethyl]-1-piperazinyl]ethyl (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 2-[4-(4-sulfanylpyrrolidine-2-carbonyl)piperazin-1-yl]ethyl carbonate Traditional Name: carbonic acid 2-[4-(4-mercaptoprolyl)piperazino]ethyl (4-nitrobenzyl) ester Formula: C19H26N4O6S MolecularWeight: 438.49794

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCOC(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])C(=O)C3CC(CN3)S

Isomeric SMILES

C1CN(CCN1CCOC(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])C(=O)C3CC(CN3)S

InChI

InChI=1S/C19H26N4O6S/c24-18(17-11-16(30)12-20-17)22-7-5-21(6-8-22)9-10-28-19(25)29-13-14-1-3-15(4-2-14)23(26)27/h1-4,16-17,20,30H,5-13H2