(4-nitrophenyl)methyl 4-(1-methyl-4-sulfanyl-pyrrolidin-2-yl)carbonylpiperazine-1-carboxylate

Systemtic Name: (4-nitrophenyl)methyl 4-(1-methyl-4-sulfanyl-pyrrolidin-2-yl)carbonylpiperazine-1-carboxylate Openeye Name: (4-nitrophenyl)methyl 4-(1-methyl-4-sulfanyl-pyrrolidine-2-carbonyl)piperazine-1-carboxylate CAS Name: 4-[(4-mercapto-1-methyl-2-pyrrolidinyl)-oxomethyl]-1-piperazinecarboxylic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 4-(1-methyl-4-sulfanylpyrrolidine-2-carbonyl)piperazine-1-carboxylate Traditional Name: 4-(4-mercapto-1-methyl-prolyl)piperazine-1-carboxylic acid (4-nitrobenzyl) ester Formula: C18H24N4O5S MolecularWeight: 408.47196

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Descriptors Computed from Structure

Canonical SMILES:

CN1CC(CC1C(=O)N2CCN(CC2)C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-])S

Isomeric SMILES

CN1CC(CC1C(=O)N2CCN(CC2)C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-])S

InChI

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