(4-nitrophenyl)methyl 2-(3,4-dimethylpiperazin-1-yl)carbonyl-4-[(4-methoxyphenyl)methylsulfanyl]pyrrolidine-1-carboxylate

Systemtic Name: (4-nitrophenyl)methyl 2-(3,4-dimethylpiperazin-1-yl)carbonyl-4-[(4-methoxyphenyl)methylsulfanyl]pyrrolidine-1-carboxylate Openeye Name: (4-nitrophenyl)methyl 2-(3,4-dimethylpiperazine-1-carbonyl)-4-[(4-methoxyphenyl)methylsulfanyl]pyrrolidine-1-carboxylate CAS Name: 2-[(3,4-dimethyl-1-piperazinyl)-oxomethyl]-4-[(4-methoxyphenyl)methylthio]-1-pyrrolidinecarboxylic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 2-(3,4-dimethylpiperazine-1-carbonyl)-4-[(4-methoxyphenyl)methylsulfanyl]pyrrolidine-1-carboxylate Traditional Name: 2-(3,4-dimethylpiperazine-1-carbonyl)-4-(p-anisylthio)pyrrolidine-1-carboxylic acid (4-nitrobenzyl) ester Formula: C27H34N4O6S MolecularWeight: 542.64706

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1C)C(=O)C2CC(CN2C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-])SCC4=CC=C(C=C4)OC

Isomeric SMILES

CC1CN(CCN1C)C(=O)C2CC(CN2C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-])SCC4=CC=C(C=C4)OC

InChI

InChI=1S/C27H34N4O6S/c1-19-15-29(13-12-28(19)2)26(32)25-14-24(38-18-21-6-10-23(36-3)11-7-21)16-30(25)27(33)37-17-20-4-8-22(9-5-20)31(34)35/h4-11,19,24-25H,12-18H2,1-3H3