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

Systemtic Name: (4-nitrophenyl)methyl 2-(pyrrolidin-1-ylmethyl)-4-(triphenylmethyl)sulfanyl-pyrrolidine-1-carboxylate Openeye Name: (4-nitrophenyl)methyl 2-(pyrrolidin-1-ylmethyl)-4-tritylsulfanyl-pyrrolidine-1-carboxylate CAS Name: 2-(1-pyrrolidinylmethyl)-4-[(triphenylmethyl)thio]-1-pyrrolidinecarboxylic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 2-(pyrrolidin-1-ylmethyl)-4-tritylsulfanylpyrrolidine-1-carboxylate Traditional Name: 2-(pyrrolidinomethyl)-4-(tritylthio)pyrrolidine-1-carboxylic acid (4-nitrobenzyl) ester Formula: C36H37N3O4S MolecularWeight: 607.76168

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)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

C1CCN(C1)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/C36H37N3O4S/c40-35(43-27-28-18-20-32(21-19-28)39(41)42)38-26-34(24-33(38)25-37-22-10-11-23-37)44-36(29-12-4-1-5-13-29,30-14-6-2-7-15-30)31-16-8-3-9-17-31/h1-9,12-21,33-34H,10-11,22-27H2