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

Systemtic Name: (4-nitrophenyl)methyl 2-[(4-aminocarbonylpiperazin-1-yl)methyl]-4-(triphenylmethyl)sulfanyl-pyrrolidine-1-carboxylate Openeye Name: (4-nitrophenyl)methyl 2-[(4-carbamoylpiperazin-1-yl)methyl]-4-tritylsulfanyl-pyrrolidine-1-carboxylate CAS Name: 2-[(4-carbamoyl-1-piperazinyl)methyl]-4-[(triphenylmethyl)thio]-1-pyrrolidinecarboxylic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 2-[(4-carbamoylpiperazin-1-yl)methyl]-4-tritylsulfanylpyrrolidine-1-carboxylate Traditional Name: 2-[(4-carbamoylpiperazino)methyl]-4-(tritylthio)pyrrolidine-1-carboxylic acid (4-nitrobenzyl) ester Formula: C37H39N5O5S MolecularWeight: 665.80106

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2CC(CN2C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-])SC(C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6)C(=O)N

Isomeric SMILES

C1CN(CCN1CC2CC(CN2C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-])SC(C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6)C(=O)N

InChI

InChI=1S/C37H39N5O5S/c38-35(43)40-22-20-39(21-23-40)25-33-24-34(26-41(33)36(44)47-27-28-16-18-32(19-17-28)42(45)46)48-37(29-10-4-1-5-11-29,30-12-6-2-7-13-30)31-14-8-3-9-15-31/h1-19,33-34H,20-27H2,(H2,38,43)