(4-nitrophenyl)methyl 4-ethanoylsulfanyl-2-(methylsulfonylaminomethyl)pyrrolidine-1-carboxylate

Systemtic Name: (4-nitrophenyl)methyl 4-ethanoylsulfanyl-2-(methylsulfonylaminomethyl)pyrrolidine-1-carboxylate Openeye Name: (4-nitrophenyl)methyl 4-acetylsulfanyl-2-(methanesulfonamidomethyl)pyrrolidine-1-carboxylate CAS Name: 4-(acetylthio)-2-(methanesulfonamidomethyl)-1-pyrrolidinecarboxylic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 4-acetylsulfanyl-2-(methanesulfonamidomethyl)pyrrolidine-1-carboxylate Traditional Name: 4-(acetylthio)-2-(methanesulfonamidomethyl)pyrrolidine-1-carboxylic acid (4-nitrobenzyl) ester Formula: C16H21N3O7S2 MolecularWeight: 431.48384

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SC1CC(N(C1)C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])CNS(=O)(=O)C

Isomeric SMILES

CC(=O)SC1CC(N(C1)C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])CNS(=O)(=O)C

InChI

InChI=1S/C16H21N3O7S2/c1-11(20)27-15-7-14(8-17-28(2,24)25)18(9-15)16(21)26-10-12-3-5-13(6-4-12)19(22)23/h3-6,14-15,17H,7-10H2,1-2H3