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

Systemtic Name: (4-nitrophenyl)methyl 2-[4-(4-sulfanylpyrrolidin-2-yl)carbonylpiperazin-1-yl]ethanoate Openeye Name: (4-nitrophenyl)methyl 2-[4-(4-sulfanylpyrrolidine-2-carbonyl)piperazin-1-yl]acetate CAS Name: 2-[4-[(4-mercapto-2-pyrrolidinyl)-oxomethyl]-1-piperazinyl]acetic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 2-[4-(4-sulfanylpyrrolidine-2-carbonyl)piperazin-1-yl]acetate Traditional Name: 2-[4-(4-mercaptoprolyl)piperazino]acetic acid (4-nitrobenzyl) ester Formula: C18H24N4O5S MolecularWeight: 408.47196

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])C(=O)C3CC(CN3)S

Isomeric SMILES

C1CN(CCN1CC(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])C(=O)C3CC(CN3)S

InChI

InChI=1S/C18H24N4O5S/c23-17(27-12-13-1-3-14(4-2-13)22(25)26)11-20-5-7-21(8-6-20)18(24)16-9-15(28)10-19-16/h1-4,15-16,19,28H,5-12H2