1-(4-methylphenyl)sulfonyl-4-(4-nitrophenyl)sulfonyloxy-pyrrolidine-2-carboxylic acid

Systemtic Name: 1-(4-methylphenyl)sulfonyl-4-(4-nitrophenyl)sulfonyloxy-pyrrolidine-2-carboxylic acid Openeye Name: 4-(4-nitrophenyl)sulfonyloxy-1-(p-tolylsulfonyl)pyrrolidine-2-carboxylic acid CAS Name: 1-(4-methylphenyl)sulfonyl-4-(4-nitrophenyl)sulfonyloxy-2-pyrrolidinecarboxylic acid IUPAC Name: 1-(4-methylphenyl)sulfonyl-4-(4-nitrophenyl)sulfonyloxypyrrolidine-2-carboxylic acid Traditional Name: 4-nosyloxy-1-tosyl-proline Formula: C18H18N2O9S2 MolecularWeight: 470.47352

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CC(CC2C(=O)O)OS(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CC(CC2C(=O)O)OS(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H18N2O9S2/c1-12-2-6-15(7-3-12)30(25,26)19-11-14(10-17(19)18(21)22)29-31(27,28)16-8-4-13(5-9-16)20(23)24/h2-9,14,17H,10-11H2,1H3,(H,21,22)