4-methylbenzenesulfonic acid; 4-oxidanyl-1-(phenylcarbonyl)pyrrolidine-2-carboxylic acid

Systemtic Name: 4-methylbenzenesulfonic acid; 4-oxidanyl-1-(phenylcarbonyl)pyrrolidine-2-carboxylic acid Openeye Name: 1-benzoyl-4-hydroxy-pyrrolidine-2-carboxylic acid; 4-methylbenzenesulfonic acid CAS Name: 1-benzoyl-4-hydroxy-2-pyrrolidinecarboxylic acid; 4-methylbenzenesulfonic acid IUPAC Name: 1-benzoyl-4-hydroxypyrrolidine-2-carboxylic acid; 4-methylbenzenesulfonic acid Traditional Name: 1-benzoyl-4-hydroxy-proline; tosylic acid Formula: C19H21NO7S MolecularWeight: 407.43754

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)O.C1C(CN(C1C(=O)O)C(=O)C2=CC=CC=C2)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)O.C1C(CN(C1C(=O)O)C(=O)C2=CC=CC=C2)O

InChI

InChI=1S/C12H13NO4.C7H8O3S/c14-9-6-10(12(16)17)13(7-9)11(15)8-4-2-1-3-5-8;1-6-2-4-7(5-3-6)11(8,9)10/h1-5,9-10,14H,6-7H2,(H,16,17);2-5H,1H3,(H,8,9,10)