(4-nitrophenyl)methyl 2-aminocarbonyl-4-[4-methylsulfonyloxy-1-[(4-nitrophenyl)methoxycarbonyl]pyrrolidin-2-yl]pyrrolidine-1-carboxylate

Systemtic Name: (4-nitrophenyl)methyl 2-aminocarbonyl-4-[4-methylsulfonyloxy-1-[(4-nitrophenyl)methoxycarbonyl]pyrrolidin-2-yl]pyrrolidine-1-carboxylate Openeye Name: (4-nitrophenyl)methyl 2-carbamoyl-4-[4-methylsulfonyloxy-1-[(4-nitrophenyl)methoxycarbonyl]pyrrolidin-2-yl]pyrrolidine-1-carboxylate CAS Name: 2-carbamoyl-4-[4-methylsulfonyloxy-1-[(4-nitrophenyl)methoxy-oxomethyl]-2-pyrrolidinyl]-1-pyrrolidinecarboxylic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 2-carbamoyl-4-[4-methylsulfonyloxy-1-[(4-nitrophenyl)methoxycarbonyl]pyrrolidin-2-yl]pyrrolidine-1-carboxylate Traditional Name: 2-carbamoyl-4-[4-methylsulfonyloxy-1-(4-nitrobenzyl)oxycarbonyl-pyrrolidin-2-yl]pyrrolidine-1-carboxylic acid (4-nitrobenzyl) ester Formula: C26H29N5O12S MolecularWeight: 635.59976

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)OC1CC(N(C1)C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])C3CC(N(C3)C(=O)OCC4=CC=C(C=C4)[N+](=O)[O-])C(=O)N

Isomeric SMILES

CS(=O)(=O)OC1CC(N(C1)C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])C3CC(N(C3)C(=O)OCC4=CC=C(C=C4)[N+](=O)[O-])C(=O)N

InChI

InChI=1S/C26H29N5O12S/c1-44(39,40)43-21-11-22(29(13-21)26(34)42-15-17-4-8-20(9-5-17)31(37)38)18-10-23(24(27)32)28(12-18)25(33)41-14-16-2-6-19(7-3-16)30(35)36/h2-9,18,21-23H,10-15H2,1H3,(H2,27,32)