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

Systemtic Name: (4-nitrophenyl)methyl 2-[(4-azidopiperidin-1-yl)methyl]-4-(triphenylmethyl)sulfanyl-pyrrolidine-1-carboxylate Openeye Name: (4-nitrophenyl)methyl 2-[(4-azido-1-piperidyl)methyl]-4-tritylsulfanyl-pyrrolidine-1-carboxylate CAS Name: 2-[(4-azido-1-piperidinyl)methyl]-4-[(triphenylmethyl)thio]-1-pyrrolidinecarboxylic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 2-[(4-azidopiperidin-1-yl)methyl]-4-tritylsulfanylpyrrolidine-1-carboxylate Traditional Name: 2-[(4-azidopiperidino)methyl]-4-(tritylthio)pyrrolidine-1-carboxylic acid (4-nitrobenzyl) ester Formula: C37H38N6O4S MolecularWeight: 662.80042

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1N=[N+]=[N-])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(CCC1N=[N+]=[N-])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/C37H38N6O4S/c38-40-39-32-20-22-41(23-21-32)25-34-24-35(26-42(34)36(44)47-27-28-16-18-33(19-17-28)43(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/h1-19,32,34-35H,20-27H2