(4-nitrophenyl)methyl 4-ethanoylsulfanyl-2-[[3-(phenylsulfonylcarbamoyl)phenyl]carbamoyl]pyrrolidine-1-carboxylate

Systemtic Name: (4-nitrophenyl)methyl 4-ethanoylsulfanyl-2-[[3-(phenylsulfonylcarbamoyl)phenyl]carbamoyl]pyrrolidine-1-carboxylate Openeye Name: (4-nitrophenyl)methyl 4-acetylsulfanyl-2-[[3-(benzenesulfonylcarbamoyl)phenyl]carbamoyl]pyrrolidine-1-carboxylate CAS Name: 4-(acetylthio)-2-[[3-[benzenesulfonamido(oxo)methyl]anilino]-oxomethyl]-1-pyrrolidinecarboxylic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 4-acetylsulfanyl-2-[[3-(benzenesulfonylcarbamoyl)phenyl]carbamoyl]pyrrolidine-1-carboxylate Traditional Name: 4-(acetylthio)-2-[[3-(besylcarbamoyl)phenyl]carbamoyl]pyrrolidine-1-carboxylic acid (4-nitrobenzyl) ester Formula: C28H26N4O9S2 MolecularWeight: 626.65744

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-])C(=O)NC3=CC=CC(=C3)C(=O)NS(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

CC(=O)SC1CC(N(C1)C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])C(=O)NC3=CC=CC(=C3)C(=O)NS(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C28H26N4O9S2/c1-18(33)42-23-15-25(31(16-23)28(36)41-17-19-10-12-22(13-11-19)32(37)38)27(35)29-21-7-5-6-20(14-21)26(34)30-43(39,40)24-8-3-2-4-9-24/h2-14,23,25H,15-17H2,1H3,(H,29,35)(H,30,34)