(4-nitrophenyl)methyl 4-(2-hydroxyethyl)-2-piperazin-1-ylcarbonyl-4-sulfanyl-pyrrolidine-1-carboxylate

Systemtic Name: (4-nitrophenyl)methyl 4-(2-hydroxyethyl)-2-piperazin-1-ylcarbonyl-4-sulfanyl-pyrrolidine-1-carboxylate Openeye Name: (4-nitrophenyl)methyl 4-(2-hydroxyethyl)-2-(piperazine-1-carbonyl)-4-sulfanyl-pyrrolidine-1-carboxylate CAS Name: 4-(2-hydroxyethyl)-4-mercapto-2-[oxo(1-piperazinyl)methyl]-1-pyrrolidinecarboxylic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 4-(2-hydroxyethyl)-2-(piperazine-1-carbonyl)-4-sulfanylpyrrolidine-1-carboxylate Traditional Name: 4-(2-hydroxyethyl)-4-mercapto-2-(piperazine-1-carbonyl)pyrrolidine-1-carboxylic acid (4-nitrobenzyl) ester Formula: C19H26N4O6S MolecularWeight: 438.49794

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1)C(=O)C2CC(CN2C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-])(CCO)S

Isomeric SMILES

C1CN(CCN1)C(=O)C2CC(CN2C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-])(CCO)S

InChI

InChI=1S/C19H26N4O6S/c24-10-5-19(30)11-16(17(25)21-8-6-20-7-9-21)22(13-19)18(26)29-12-14-1-3-15(4-2-14)23(27)28/h1-4,16,20,24,30H,5-13H2