[2-[4-(2-hydroxyethyl)piperazin-1-yl]carbonyl-4-nitro-phenyl]methyl 3-sulfanylpyrrolidine-1-carboxylate

Systemtic Name: [2-[4-(2-hydroxyethyl)piperazin-1-yl]carbonyl-4-nitro-phenyl]methyl 3-sulfanylpyrrolidine-1-carboxylate Openeye Name: [2-[4-(2-hydroxyethyl)piperazine-1-carbonyl]-4-nitro-phenyl]methyl 3-sulfanylpyrrolidine-1-carboxylate CAS Name: 3-mercapto-1-pyrrolidinecarboxylic acid [2-[[4-(2-hydroxyethyl)-1-piperazinyl]-oxomethyl]-4-nitrophenyl]methyl ester IUPAC Name: [2-[4-(2-hydroxyethyl)piperazine-1-carbonyl]-4-nitrophenyl]methyl 3-sulfanylpyrrolidine-1-carboxylate Traditional Name: 3-mercaptopyrrolidine-1-carboxylic acid [2-[4-(2-hydroxyethyl)piperazine-1-carbonyl]-4-nitro-benzyl] ester Formula: C19H26N4O6S MolecularWeight: 438.49794

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC1S)C(=O)OCC2=C(C=C(C=C2)[N+](=O)[O-])C(=O)N3CCN(CC3)CCO

Isomeric SMILES

C1CN(CC1S)C(=O)OCC2=C(C=C(C=C2)[N+](=O)[O-])C(=O)N3CCN(CC3)CCO

InChI

InChI=1S/C19H26N4O6S/c24-10-9-20-5-7-21(8-6-20)18(25)17-11-15(23(27)28)2-1-14(17)13-29-19(26)22-4-3-16(30)12-22/h1-2,11,16,24,30H,3-10,12-13H2