(4-nitrophenyl)methyl 2-[[4-[(4-methylphenyl)sulfonyloxymethyl]phenyl]-oxidanyl-methyl]-4-oxidanyl-pyrrolidine-1-carboxylate

Systemtic Name: (4-nitrophenyl)methyl 2-[[4-[(4-methylphenyl)sulfonyloxymethyl]phenyl]-oxidanyl-methyl]-4-oxidanyl-pyrrolidine-1-carboxylate Openeye Name: (4-nitrophenyl)methyl 4-hydroxy-2-[hydroxy-[4-(p-tolylsulfonyloxymethyl)phenyl]methyl]pyrrolidine-1-carboxylate CAS Name: 4-hydroxy-2-[hydroxy-[4-[(4-methylphenyl)sulfonyloxymethyl]phenyl]methyl]-1-pyrrolidinecarboxylic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 4-hydroxy-2-[hydroxy-[4-[(4-methylphenyl)sulfonyloxymethyl]phenyl]methyl]pyrrolidine-1-carboxylate Traditional Name: 4-hydroxy-2-[hydroxy-[4-(tosyloxymethyl)phenyl]methyl]pyrrolidine-1-carboxylic acid (4-nitrobenzyl) ester Formula: C27H28N2O9S MolecularWeight: 556.58422

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCC2=CC=C(C=C2)C(C3CC(CN3C(=O)OCC4=CC=C(C=C4)[N+](=O)[O-])O)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCC2=CC=C(C=C2)C(C3CC(CN3C(=O)OCC4=CC=C(C=C4)[N+](=O)[O-])O)O

InChI

InChI=1S/C27H28N2O9S/c1-18-2-12-24(13-3-18)39(35,36)38-17-20-4-8-21(9-5-20)26(31)25-14-23(30)15-28(25)27(32)37-16-19-6-10-22(11-7-19)29(33)34/h2-13,23,25-26,30-31H,14-17H2,1H3