(4-nitrophenyl)methyl 4-(2-hydroxyethyl)-4-methylsulfonyloxy-2-piperazin-1-ylcarbonyl-pyrrolidine-1-carboxylate

Systemtic Name: (4-nitrophenyl)methyl 4-(2-hydroxyethyl)-4-methylsulfonyloxy-2-piperazin-1-ylcarbonyl-pyrrolidine-1-carboxylate Openeye Name: (4-nitrophenyl)methyl 4-(2-hydroxyethyl)-4-methylsulfonyloxy-2-(piperazine-1-carbonyl)pyrrolidine-1-carboxylate CAS Name: 4-(2-hydroxyethyl)-4-methylsulfonyloxy-2-[oxo(1-piperazinyl)methyl]-1-pyrrolidinecarboxylic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 4-(2-hydroxyethyl)-4-methylsulfonyloxy-2-(piperazine-1-carbonyl)pyrrolidine-1-carboxylate Traditional Name: 4-(2-hydroxyethyl)-4-methylsulfonyloxy-2-(piperazine-1-carbonyl)pyrrolidine-1-carboxylic acid (4-nitrobenzyl) ester Formula: C20H28N4O9S MolecularWeight: 500.52272

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)OC1(CC(N(C1)C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])C(=O)N3CCNCC3)CCO

Isomeric SMILES

CS(=O)(=O)OC1(CC(N(C1)C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])C(=O)N3CCNCC3)CCO

InChI

InChI=1S/C20H28N4O9S/c1-34(30,31)33-20(6-11-25)12-17(18(26)22-9-7-21-8-10-22)23(14-20)19(27)32-13-15-2-4-16(5-3-15)24(28)29/h2-5,17,21,25H,6-14H2,1H3