(4-nitrophenyl)methyl 4-methylsulfonyloxy-4-[[(4-nitrophenyl)methoxycarbonylamino]methyl]-2-(phenylmethyl)pyrrolidine-1-carboxylate

Systemtic Name: (4-nitrophenyl)methyl 4-methylsulfonyloxy-4-[[(4-nitrophenyl)methoxycarbonylamino]methyl]-2-(phenylmethyl)pyrrolidine-1-carboxylate Openeye Name: (4-nitrophenyl)methyl 2-benzyl-4-methylsulfonyloxy-4-[[(4-nitrophenyl)methoxycarbonylamino]methyl]pyrrolidine-1-carboxylate CAS Name: 4-methylsulfonyloxy-4-[[[(4-nitrophenyl)methoxy-oxomethyl]amino]methyl]-2-(phenylmethyl)-1-pyrrolidinecarboxylic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 2-benzyl-4-methylsulfonyloxy-4-[[(4-nitrophenyl)methoxycarbonylamino]methyl]pyrrolidine-1-carboxylate Traditional Name: 2-benzyl-4-methylsulfonyloxy-4-[[(4-nitrobenzyl)oxycarbonylamino]methyl]pyrrolidine-1-carboxylic acid (4-nitrobenzyl) ester Formula: C29H30N4O11S MolecularWeight: 642.6337

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)OC1(CC(N(C1)C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])CC3=CC=CC=C3)CNC(=O)OCC4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CS(=O)(=O)OC1(CC(N(C1)C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])CC3=CC=CC=C3)CNC(=O)OCC4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C29H30N4O11S/c1-45(40,41)44-29(19-30-27(34)42-17-22-7-11-24(12-8-22)32(36)37)16-26(15-21-5-3-2-4-6-21)31(20-29)28(35)43-18-23-9-13-25(14-10-23)33(38)39/h2-14,26H,15-20H2,1H3,(H,30,34)