(4-nitrophenyl)methyl 2-(4-methylpiperazin-1-yl)carbonyl-4-sulfanyl-pyrrolidine-1-carboxylate

Systemtic Name: (4-nitrophenyl)methyl 2-(4-methylpiperazin-1-yl)carbonyl-4-sulfanyl-pyrrolidine-1-carboxylate Openeye Name: (4-nitrophenyl)methyl 2-(4-methylpiperazine-1-carbonyl)-4-sulfanyl-pyrrolidine-1-carboxylate CAS Name: 4-mercapto-2-[(4-methyl-1-piperazinyl)-oxomethyl]-1-pyrrolidinecarboxylic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 2-(4-methylpiperazine-1-carbonyl)-4-sulfanylpyrrolidine-1-carboxylate Traditional Name: 4-mercapto-2-(4-methylpiperazine-1-carbonyl)pyrrolidine-1-carboxylic acid (4-nitrobenzyl) ester Formula: C18H24N4O5S MolecularWeight: 408.47196

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C(=O)C2CC(CN2C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-])S

Isomeric SMILES

CN1CCN(CC1)C(=O)C2CC(CN2C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-])S

InChI

InChI=1S/C18H24N4O5S/c1-19-6-8-20(9-7-19)17(23)16-10-15(28)11-21(16)18(24)27-12-13-2-4-14(5-3-13)22(25)26/h2-5,15-16,28H,6-12H2,1H3