(4-nitrophenyl)methyl 2-(piperazin-1-ylmethyl)-4-(triphenylmethyl)sulfanyl-pyrrolidine-1-carboxylate

Systemtic Name: (4-nitrophenyl)methyl 2-(piperazin-1-ylmethyl)-4-(triphenylmethyl)sulfanyl-pyrrolidine-1-carboxylate Openeye Name: (4-nitrophenyl)methyl 2-(piperazin-1-ylmethyl)-4-tritylsulfanyl-pyrrolidine-1-carboxylate CAS Name: 2-(1-piperazinylmethyl)-4-[(triphenylmethyl)thio]-1-pyrrolidinecarboxylic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 2-(piperazin-1-ylmethyl)-4-tritylsulfanylpyrrolidine-1-carboxylate Traditional Name: 2-(piperazinomethyl)-4-(tritylthio)pyrrolidine-1-carboxylic acid (4-nitrobenzyl) ester Formula: C36H38N4O4S MolecularWeight: 622.77632

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1)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(CCN1)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/C36H38N4O4S/c41-35(44-27-28-16-18-32(19-17-28)40(42)43)39-26-34(24-33(39)25-38-22-20-37-21-23-38)45-36(29-10-4-1-5-11-29,30-12-6-2-7-13-30)31-14-8-3-9-15-31/h1-19,33-34,37H,20-27H2