(4-nitrophenyl)methyl 2-[3-(methylamino)-1-oxidanyl-propyl]-4-(triphenylmethyl)sulfanyl-pyrrolidine-1-carboxylate

Systemtic Name: (4-nitrophenyl)methyl 2-[3-(methylamino)-1-oxidanyl-propyl]-4-(triphenylmethyl)sulfanyl-pyrrolidine-1-carboxylate Openeye Name: (4-nitrophenyl)methyl 2-[1-hydroxy-3-(methylamino)propyl]-4-tritylsulfanyl-pyrrolidine-1-carboxylate CAS Name: 2-[1-hydroxy-3-(methylamino)propyl]-4-[(triphenylmethyl)thio]-1-pyrrolidinecarboxylic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 2-[1-hydroxy-3-(methylamino)propyl]-4-tritylsulfanylpyrrolidine-1-carboxylate Traditional Name: 2-[1-hydroxy-3-(methylamino)propyl]-4-(tritylthio)pyrrolidine-1-carboxylic acid (4-nitrobenzyl) ester Formula: C35H37N3O5S MolecularWeight: 611.75038

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Descriptors Computed from Structure

Canonical SMILES:

CNCCC(C1CC(CN1C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])SC(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5)O

Isomeric SMILES

CNCCC(C1CC(CN1C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])SC(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5)O

InChI

InChI=1S/C35H37N3O5S/c1-36-22-21-33(39)32-23-31(24-37(32)34(40)43-25-26-17-19-30(20-18-26)38(41)42)44-35(27-11-5-2-6-12-27,28-13-7-3-8-14-28)29-15-9-4-10-16-29/h2-20,31-33,36,39H,21-25H2,1H3