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

Systemtic Name: 1-(4-methylphenyl)sulfonyl-4-(4-methylphenyl)sulfonyloxy-pyrrolidine-2-carboxylic acid; 1-(4-methylphenyl)sulfonyl-4-oxidanyl-pyrrolidine-2-carboxylic acid Openeye Name: 4-hydroxy-1-(p-tolylsulfonyl)pyrrolidine-2-carboxylic acid; 1-(p-tolylsulfonyl)-4-(p-tolylsulfonyloxy)pyrrolidine-2-carboxylic acid CAS Name: 4-hydroxy-1-(4-methylphenyl)sulfonyl-2-pyrrolidinecarboxylic acid; 1-(4-methylphenyl)sulfonyl-4-(4-methylphenyl)sulfonyloxy-2-pyrrolidinecarboxylic acid IUPAC Name: 4-hydroxy-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxylic acid; 1-(4-methylphenyl)sulfonyl-4-(4-methylphenyl)sulfonyloxypyrrolidine-2-carboxylic acid Traditional Name: 4-hydroxy-1-tosyl-proline; 1-tosyl-4-tosyloxy-proline Formula: C31H36N2O12S3 MolecularWeight: 724.81874

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CC(CC2C(=O)O)O.CC1=CC=C(C=C1)S(=O)(=O)N2CC(CC2C(=O)O)OS(=O)(=O)C3=CC=C(C=C3)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CC(CC2C(=O)O)O.CC1=CC=C(C=C1)S(=O)(=O)N2CC(CC2C(=O)O)OS(=O)(=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C19H21NO7S2.C12H15NO5S/c1-13-3-7-16(8-4-13)28(23,24)20-12-15(11-18(20)19(21)22)27-29(25,26)17-9-5-14(2)6-10-17;1-8-2-4-10(5-3-8)19(17,18)13-7-9(14)6-11(13)12(15)16/h3-10,15,18H,11-12H2,1-2H3,(H,21,22);2-5,9,11,14H,6-7H2,1H3,(H,15,16)