(4-nitrophenyl)methyl 2-(2-dimethylaminoethyloxymethyl)-4-methylsulfonyloxy-pyrrolidine-1-carboxylate

Systemtic Name: (4-nitrophenyl)methyl 2-(2-dimethylaminoethyloxymethyl)-4-methylsulfonyloxy-pyrrolidine-1-carboxylate Openeye Name: (4-nitrophenyl)methyl 2-(2-dimethylaminoethyloxymethyl)-4-methylsulfonyloxy-pyrrolidine-1-carboxylate CAS Name: 2-(2-dimethylaminoethyloxymethyl)-4-methylsulfonyloxy-1-pyrrolidinecarboxylic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 2-(2-dimethylaminoethyloxymethyl)-4-methylsulfonyloxypyrrolidine-1-carboxylate Traditional Name: 2-(2-dimethylaminoethyloxymethyl)-4-methylsulfonyloxy-pyrrolidine-1-carboxylic acid (4-nitrobenzyl) ester Formula: C18H27N3O8S MolecularWeight: 445.48728

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCOCC1CC(CN1C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])OS(=O)(=O)C

Isomeric SMILES

CN(C)CCOCC1CC(CN1C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])OS(=O)(=O)C

InChI

InChI=1S/C18H27N3O8S/c1-19(2)8-9-27-13-16-10-17(29-30(3,25)26)11-20(16)18(22)28-12-14-4-6-15(7-5-14)21(23)24/h4-7,16-17H,8-13H2,1-3H3