phenacyl (2S,4R)-1-(2-nitrophenyl)sulfonyl-4-oxidanyl-pyrrolidine-2-carboxylate

Systemtic Name: phenacyl (2S,4R)-1-(2-nitrophenyl)sulfonyl-4-oxidanyl-pyrrolidine-2-carboxylate Openeye Name: phenacyl (2S,4R)-4-hydroxy-1-(2-nitrophenyl)sulfonyl-pyrrolidine-2-carboxylate CAS Name: (2S,4R)-4-hydroxy-1-(2-nitrophenyl)sulfonyl-2-pyrrolidinecarboxylic acid phenacyl ester IUPAC Name: phenacyl (2S,4R)-4-hydroxy-1-(2-nitrophenyl)sulfonylpyrrolidine-2-carboxylate Traditional Name: (2S,4R)-4-hydroxy-1-(2-nitrophenyl)sulfonyl-pyrrolidine-2-carboxylic acid phenacyl ester Formula: C19H18N2O8S MolecularWeight: 434.41982

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Descriptors Computed from Structure

Canonical SMILES:

C1C(CN(C1C(=O)OCC(=O)C2=CC=CC=C2)S(=O)(=O)C3=CC=CC=C3[N+](=O)[O-])O

Isomeric SMILES

C1[C@H](CN([C@@H]1C(=O)OCC(=O)C2=CC=CC=C2)S(=O)(=O)C3=CC=CC=C3[N+](=O)[O-])O

InChI

InChI=1S/C19H18N2O8S/c22-14-10-16(19(24)29-12-17(23)13-6-2-1-3-7-13)20(11-14)30(27,28)18-9-5-4-8-15(18)21(25)26/h1-9,14,16,22H,10-12H2/t14-,16+/m1/s1