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

Systemtic Name: (4-nitrophenyl)methyl 2-[(2-chloranylethanoylamino)methyl]-4-(triphenylmethyl)sulfanyl-pyrrolidine-1-carboxylate Openeye Name: (4-nitrophenyl)methyl 2-[[(2-chloroacetyl)amino]methyl]-4-tritylsulfanyl-pyrrolidine-1-carboxylate CAS Name: 2-[[(2-chloro-1-oxoethyl)amino]methyl]-4-[(triphenylmethyl)thio]-1-pyrrolidinecarboxylic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 2-[[(2-chloroacetyl)amino]methyl]-4-tritylsulfanylpyrrolidine-1-carboxylate Traditional Name: 2-[[(2-chloroacetyl)amino]methyl]-4-(tritylthio)pyrrolidine-1-carboxylic acid (4-nitrobenzyl) ester Formula: C34H32ClN3O5S MolecularWeight: 630.15298

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Descriptors Computed from Structure

Canonical SMILES:

C1C(CN(C1CNC(=O)CCl)C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])SC(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

C1C(CN(C1CNC(=O)CCl)C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])SC(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C34H32ClN3O5S/c35-21-32(39)36-22-30-20-31(23-37(30)33(40)43-24-25-16-18-29(19-17-25)38(41)42)44-34(26-10-4-1-5-11-26,27-12-6-2-7-13-27)28-14-8-3-9-15-28/h1-19,30-31H,20-24H2,(H,36,39)