(4-nitrophenyl)methyl 2-(4-aminocarbonylpiperidin-1-yl)carbonyl-4-ethanoylsulfanyl-pyrrolidine-1-carboxylate

Systemtic Name: (4-nitrophenyl)methyl 2-(4-aminocarbonylpiperidin-1-yl)carbonyl-4-ethanoylsulfanyl-pyrrolidine-1-carboxylate Openeye Name: (4-nitrophenyl)methyl 4-acetylsulfanyl-2-(4-carbamoylpiperidine-1-carbonyl)pyrrolidine-1-carboxylate CAS Name: 4-(acetylthio)-2-[(4-carbamoyl-1-piperidinyl)-oxomethyl]-1-pyrrolidinecarboxylic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 4-acetylsulfanyl-2-(4-carbamoylpiperidine-1-carbonyl)pyrrolidine-1-carboxylate Traditional Name: 4-(acetylthio)-2-(4-carbamoylpiperidine-1-carbonyl)pyrrolidine-1-carboxylic acid (4-nitrobenzyl) ester Formula: C21H26N4O7S MolecularWeight: 478.51874

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SC1CC(N(C1)C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])C(=O)N3CCC(CC3)C(=O)N

Isomeric SMILES

CC(=O)SC1CC(N(C1)C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])C(=O)N3CCC(CC3)C(=O)N

InChI

InChI=1S/C21H26N4O7S/c1-13(26)33-17-10-18(20(28)23-8-6-15(7-9-23)19(22)27)24(11-17)21(29)32-12-14-2-4-16(5-3-14)25(30)31/h2-5,15,17-18H,6-12H2,1H3,(H2,22,27)