(4-nitrophenyl)methyl 2-[(3-oxidanylidenepiperazin-1-yl)methyl]-4-(triphenylmethyl)sulfanyl-pyrrolidine-1-carboxylate

Systemtic Name: (4-nitrophenyl)methyl 2-[(3-oxidanylidenepiperazin-1-yl)methyl]-4-(triphenylmethyl)sulfanyl-pyrrolidine-1-carboxylate Openeye Name: (4-nitrophenyl)methyl 2-[(3-oxopiperazin-1-yl)methyl]-4-tritylsulfanyl-pyrrolidine-1-carboxylate CAS Name: 2-[(3-oxo-1-piperazinyl)methyl]-4-[(triphenylmethyl)thio]-1-pyrrolidinecarboxylic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 2-[(3-oxopiperazin-1-yl)methyl]-4-tritylsulfanylpyrrolidine-1-carboxylate Traditional Name: 2-[(3-ketopiperazino)methyl]-4-(tritylthio)pyrrolidine-1-carboxylic acid (4-nitrobenzyl) ester Formula: C36H36N4O5S MolecularWeight: 636.75984

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC(=O)N1)CC2CC(CN2C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-])SC(C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6

Isomeric SMILES

C1CN(CC(=O)N1)CC2CC(CN2C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-])SC(C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6

InChI

InChI=1S/C36H36N4O5S/c41-34-25-38(21-20-37-34)23-32-22-33(24-39(32)35(42)45-26-27-16-18-31(19-17-27)40(43)44)46-36(28-10-4-1-5-11-28,29-12-6-2-7-13-29)30-14-8-3-9-15-30/h1-19,32-33H,20-26H2,(H,37,41)