(4-nitrophenyl)methyl (2S,4R)-2-(hydroxymethyl)-4-methylsulfonyl-pyrrolidine-1-carboxylate

Systemtic Name: (4-nitrophenyl)methyl (2S,4R)-2-(hydroxymethyl)-4-methylsulfonyl-pyrrolidine-1-carboxylate Openeye Name: (4-nitrophenyl)methyl (2S,4R)-2-(hydroxymethyl)-4-methylsulfonyl-pyrrolidine-1-carboxylate CAS Name: (2S,4R)-2-(hydroxymethyl)-4-methylsulfonyl-1-pyrrolidinecarboxylic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl (2S,4R)-2-(hydroxymethyl)-4-methylsulfonylpyrrolidine-1-carboxylate Traditional Name: (2S,4R)-4-mesyl-2-methylol-pyrrolidine-1-carboxylic acid (4-nitrobenzyl) ester Formula: C14H18N2O7S MolecularWeight: 358.36692

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1CC(N(C1)C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])CO

Isomeric SMILES

CS(=O)(=O)[C@@H]1C[C@H](N(C1)C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])CO

InChI

InChI=1S/C14H18N2O7S/c1-24(21,22)13-6-12(8-17)15(7-13)14(18)23-9-10-2-4-11(5-3-10)16(19)20/h2-5,12-13,17H,6-9H2,1H3/t12-,13+/m0/s1