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

Systemtic Name: (4-nitrophenyl)methyl 4-[(4-methoxyphenyl)methylsulfanyl]-2-(4-methylpiperazin-1-yl)carbonyl-pyrrolidine-1-carboxylate Openeye Name: (4-nitrophenyl)methyl 4-[(4-methoxyphenyl)methylsulfanyl]-2-(4-methylpiperazine-1-carbonyl)pyrrolidine-1-carboxylate CAS Name: 4-[(4-methoxyphenyl)methylthio]-2-[(4-methyl-1-piperazinyl)-oxomethyl]-1-pyrrolidinecarboxylic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 4-[(4-methoxyphenyl)methylsulfanyl]-2-(4-methylpiperazine-1-carbonyl)pyrrolidine-1-carboxylate Traditional Name: 2-(4-methylpiperazine-1-carbonyl)-4-(p-anisylthio)pyrrolidine-1-carboxylic acid (4-nitrobenzyl) ester Formula: C26H32N4O6S MolecularWeight: 528.62048

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C(=O)C2CC(CN2C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-])SCC4=CC=C(C=C4)OC

Isomeric SMILES

CN1CCN(CC1)C(=O)C2CC(CN2C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-])SCC4=CC=C(C=C4)OC

InChI

InChI=1S/C26H32N4O6S/c1-27-11-13-28(14-12-27)25(31)24-15-23(37-18-20-5-9-22(35-2)10-6-20)16-29(24)26(32)36-17-19-3-7-21(8-4-19)30(33)34/h3-10,23-24H,11-18H2,1-2H3