(4-nitrophenyl)methyl 2-methylsulfonyloxy-2-[(2-oxidanylideneimidazolidin-1-yl)methyl]pyrrolidine-1-carboxylate

Systemtic Name: (4-nitrophenyl)methyl 2-methylsulfonyloxy-2-[(2-oxidanylideneimidazolidin-1-yl)methyl]pyrrolidine-1-carboxylate Openeye Name: (4-nitrophenyl)methyl 2-methylsulfonyloxy-2-[(2-oxoimidazolidin-1-yl)methyl]pyrrolidine-1-carboxylate CAS Name: 2-methylsulfonyloxy-2-[(2-oxo-1-imidazolidinyl)methyl]-1-pyrrolidinecarboxylic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 2-methylsulfonyloxy-2-[(2-oxoimidazolidin-1-yl)methyl]pyrrolidine-1-carboxylate Traditional Name: 2-[(2-ketoimidazolidin-1-yl)methyl]-2-methylsulfonyloxy-pyrrolidine-1-carboxylic acid (4-nitrobenzyl) ester Formula: C17H22N4O8S MolecularWeight: 442.44358

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)OC1(CCCN1C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])CN3CCNC3=O

Isomeric SMILES

CS(=O)(=O)OC1(CCCN1C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])CN3CCNC3=O

InChI

InChI=1S/C17H22N4O8S/c1-30(26,27)29-17(12-19-10-8-18-15(19)22)7-2-9-20(17)16(23)28-11-13-3-5-14(6-4-13)21(24)25/h3-6H,2,7-12H2,1H3,(H,18,22)