(4-nitrophenyl)methyl 2-(imidazol-1-ylmethyl)-4-methylsulfonyloxy-pyrrolidine-1-carboxylate

Systemtic Name: (4-nitrophenyl)methyl 2-(imidazol-1-ylmethyl)-4-methylsulfonyloxy-pyrrolidine-1-carboxylate Openeye Name: (4-nitrophenyl)methyl 2-(imidazol-1-ylmethyl)-4-methylsulfonyloxy-pyrrolidine-1-carboxylate CAS Name: 2-(1-imidazolylmethyl)-4-methylsulfonyloxy-1-pyrrolidinecarboxylic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 2-(imidazol-1-ylmethyl)-4-methylsulfonyloxypyrrolidine-1-carboxylate Traditional Name: 2-(imidazol-1-ylmethyl)-4-methylsulfonyloxy-pyrrolidine-1-carboxylic acid (4-nitrobenzyl) ester Formula: C17H20N4O7S MolecularWeight: 424.4283

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-])CN3C=CN=C3

Isomeric SMILES

CS(=O)(=O)OC1CC(N(C1)C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])CN3C=CN=C3

InChI

InChI=1S/C17H20N4O7S/c1-29(25,26)28-16-8-15(9-19-7-6-18-12-19)20(10-16)17(22)27-11-13-2-4-14(5-3-13)21(23)24/h2-7,12,15-16H,8-11H2,1H3