(4-nitrophenyl)methyl 2-(1-methylpiperidin-4-yl)-4-methylsulfonyloxy-pyrrolidine-1-carboxylate

Systemtic Name: (4-nitrophenyl)methyl 2-(1-methylpiperidin-4-yl)-4-methylsulfonyloxy-pyrrolidine-1-carboxylate Openeye Name: (4-nitrophenyl)methyl 2-(1-methyl-4-piperidyl)-4-methylsulfonyloxy-pyrrolidine-1-carboxylate CAS Name: 2-(1-methyl-4-piperidinyl)-4-methylsulfonyloxy-1-pyrrolidinecarboxylic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 2-(1-methylpiperidin-4-yl)-4-methylsulfonyloxypyrrolidine-1-carboxylate Traditional Name: 2-(1-methyl-4-piperidyl)-4-methylsulfonyloxy-pyrrolidine-1-carboxylic acid (4-nitrobenzyl) ester Formula: C19H27N3O7S MolecularWeight: 441.49858

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1CCC(CC1)C2CC(CN2C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-])OS(=O)(=O)C

Isomeric SMILES

CN1CCC(CC1)C2CC(CN2C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-])OS(=O)(=O)C

InChI

InChI=1S/C19H27N3O7S/c1-20-9-7-15(8-10-20)18-11-17(29-30(2,26)27)12-21(18)19(23)28-13-14-3-5-16(6-4-14)22(24)25/h3-6,15,17-18H,7-13H2,1-2H3