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

Systemtic Name: (4-nitrophenyl)methyl 2-[(4-methylpiperazin-1-yl)methyl]-4-sulfanyl-pyrrolidine-1-carboxylate Openeye Name: (4-nitrophenyl)methyl 2-[(4-methylpiperazin-1-yl)methyl]-4-sulfanyl-pyrrolidine-1-carboxylate CAS Name: 4-mercapto-2-[(4-methyl-1-piperazinyl)methyl]-1-pyrrolidinecarboxylic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 2-[(4-methylpiperazin-1-yl)methyl]-4-sulfanylpyrrolidine-1-carboxylate Traditional Name: 4-mercapto-2-[(4-methylpiperazino)methyl]pyrrolidine-1-carboxylic acid (4-nitrobenzyl) ester Formula: C18H26N4O4S MolecularWeight: 394.48844

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)CC2CC(CN2C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-])S

Isomeric SMILES

CN1CCN(CC1)CC2CC(CN2C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-])S

InChI

InChI=1S/C18H26N4O4S/c1-19-6-8-20(9-7-19)11-16-10-17(27)12-21(16)18(23)26-13-14-2-4-15(5-3-14)22(24)25/h2-5,16-17,27H,6-13H2,1H3