(4-nitrophenyl)methyl 4-methylsulfonyloxy-2-[[(4-nitrophenyl)methoxycarbonyl-phenyl-amino]methyl]pyrrolidine-1-carboxylate

Systemtic Name: (4-nitrophenyl)methyl 4-methylsulfonyloxy-2-[[(4-nitrophenyl)methoxycarbonyl-phenyl-amino]methyl]pyrrolidine-1-carboxylate Openeye Name: (4-nitrophenyl)methyl 4-methylsulfonyloxy-2-[[N-[(4-nitrophenyl)methoxycarbonyl]anilino]methyl]pyrrolidine-1-carboxylate CAS Name: 4-methylsulfonyloxy-2-[(N-[(4-nitrophenyl)methoxy-oxomethyl]anilino)methyl]-1-pyrrolidinecarboxylic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 4-methylsulfonyloxy-2-[[N-[(4-nitrophenyl)methoxycarbonyl]anilino]methyl]pyrrolidine-1-carboxylate Traditional Name: 4-methylsulfonyloxy-2-[(N-(4-nitrobenzyl)oxycarbonylanilino)methyl]pyrrolidine-1-carboxylic acid (4-nitrobenzyl) ester Formula: C28H28N4O11S MolecularWeight: 628.60712

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)OC1CC(N(C1)C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])CN(C3=CC=CC=C3)C(=O)OCC4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CS(=O)(=O)OC1CC(N(C1)C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])CN(C3=CC=CC=C3)C(=O)OCC4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C28H28N4O11S/c1-44(39,40)43-26-15-25(30(17-26)28(34)42-19-21-9-13-24(14-10-21)32(37)38)16-29(22-5-3-2-4-6-22)27(33)41-18-20-7-11-23(12-8-20)31(35)36/h2-14,25-26H,15-19H2,1H3