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

Systemtic Name: (4-nitrophenyl)methyl 4-ethanoylsulfanyl-2-(1-methylpiperidin-4-yl)pyrrolidine-1-carboxylate Openeye Name: (4-nitrophenyl)methyl 4-acetylsulfanyl-2-(1-methyl-4-piperidyl)pyrrolidine-1-carboxylate CAS Name: 4-(acetylthio)-2-(1-methyl-4-piperidinyl)-1-pyrrolidinecarboxylic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 4-acetylsulfanyl-2-(1-methylpiperidin-4-yl)pyrrolidine-1-carboxylate Traditional Name: 4-(acetylthio)-2-(1-methyl-4-piperidyl)pyrrolidine-1-carboxylic acid (4-nitrobenzyl) ester Formula: C20H27N3O5S MolecularWeight: 421.51048

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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-])C3CCN(CC3)C

Isomeric SMILES

CC(=O)SC1CC(N(C1)C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])C3CCN(CC3)C

InChI

InChI=1S/C20H27N3O5S/c1-14(24)29-18-11-19(16-7-9-21(2)10-8-16)22(12-18)20(25)28-13-15-3-5-17(6-4-15)23(26)27/h3-6,16,18-19H,7-13H2,1-2H3