(4-nitrophenyl)methyl 4-(2-hydroxyethyl)-4-[(4-methoxyphenyl)methylsulfanyl]-2-piperazin-1-ylcarbonyl-pyrrolidine-1-carboxylate

Systemtic Name: (4-nitrophenyl)methyl 4-(2-hydroxyethyl)-4-[(4-methoxyphenyl)methylsulfanyl]-2-piperazin-1-ylcarbonyl-pyrrolidine-1-carboxylate Openeye Name: (4-nitrophenyl)methyl 4-(2-hydroxyethyl)-4-[(4-methoxyphenyl)methylsulfanyl]-2-(piperazine-1-carbonyl)pyrrolidine-1-carboxylate CAS Name: 4-(2-hydroxyethyl)-4-[(4-methoxyphenyl)methylthio]-2-[oxo(1-piperazinyl)methyl]-1-pyrrolidinecarboxylic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 4-(2-hydroxyethyl)-4-[(4-methoxyphenyl)methylsulfanyl]-2-(piperazine-1-carbonyl)pyrrolidine-1-carboxylate Traditional Name: 4-(2-hydroxyethyl)-4-(p-anisylthio)-2-(piperazine-1-carbonyl)pyrrolidine-1-carboxylic acid (4-nitrobenzyl) ester Formula: C27H34N4O7S MolecularWeight: 558.64646

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CSC2(CC(N(C2)C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-])C(=O)N4CCNCC4)CCO

Isomeric SMILES

COC1=CC=C(C=C1)CSC2(CC(N(C2)C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-])C(=O)N4CCNCC4)CCO

InChI

InChI=1S/C27H34N4O7S/c1-37-23-8-4-21(5-9-23)18-39-27(10-15-32)16-24(25(33)29-13-11-28-12-14-29)30(19-27)26(34)38-17-20-2-6-22(7-3-20)31(35)36/h2-9,24,28,32H,10-19H2,1H3