(4-nitrophenyl)methyl 2-[(4-aminocarbonylpiperazin-1-yl)methyl]-4-sulfanyl-pyrrolidine-1-carboxylate

Systemtic Name: (4-nitrophenyl)methyl 2-[(4-aminocarbonylpiperazin-1-yl)methyl]-4-sulfanyl-pyrrolidine-1-carboxylate Openeye Name: (4-nitrophenyl)methyl 2-[(4-carbamoylpiperazin-1-yl)methyl]-4-sulfanyl-pyrrolidine-1-carboxylate CAS Name: 2-[(4-carbamoyl-1-piperazinyl)methyl]-4-mercapto-1-pyrrolidinecarboxylic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 2-[(4-carbamoylpiperazin-1-yl)methyl]-4-sulfanylpyrrolidine-1-carboxylate Traditional Name: 2-[(4-carbamoylpiperazino)methyl]-4-mercapto-pyrrolidine-1-carboxylic acid (4-nitrobenzyl) ester Formula: C18H25N5O5S MolecularWeight: 423.4866

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2CC(CN2C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-])S)C(=O)N

Isomeric SMILES

C1CN(CCN1CC2CC(CN2C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-])S)C(=O)N

InChI

InChI=1S/C18H25N5O5S/c19-17(24)21-7-5-20(6-8-21)10-15-9-16(29)11-22(15)18(25)28-12-13-1-3-14(4-2-13)23(26)27/h1-4,15-16,29H,5-12H2,(H2,19,24)