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

Systemtic Name: (4-nitrophenyl)methyl 2-[3-(dimethylamino)-1-oxidanyl-propyl]-4-(triphenylmethyl)sulfanyl-pyrrolidine-1-carboxylate Openeye Name: (4-nitrophenyl)methyl 2-[3-(dimethylamino)-1-hydroxy-propyl]-4-tritylsulfanyl-pyrrolidine-1-carboxylate CAS Name: 2-[3-(dimethylamino)-1-hydroxypropyl]-4-[(triphenylmethyl)thio]-1-pyrrolidinecarboxylic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 2-[3-(dimethylamino)-1-hydroxypropyl]-4-tritylsulfanylpyrrolidine-1-carboxylate Traditional Name: 2-[3-(dimethylamino)-1-hydroxy-propyl]-4-(tritylthio)pyrrolidine-1-carboxylic acid (4-nitrobenzyl) ester Formula: C36H39N3O5S MolecularWeight: 625.77696

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCC(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

CN(C)CCC(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/C36H39N3O5S/c1-37(2)23-22-34(40)33-24-32(25-38(33)35(41)44-26-27-18-20-31(21-19-27)39(42)43)45-36(28-12-6-3-7-13-28,29-14-8-4-9-15-29)30-16-10-5-11-17-30/h3-21,32-34,40H,22-26H2,1-2H3