1-[(3-cyanophenyl)methylsulfonyl]-4-oxidanyl-pyrrolidine-2-carboxylic acid

Systemtic Name: 1-[(3-cyanophenyl)methylsulfonyl]-4-oxidanyl-pyrrolidine-2-carboxylic acid Openeye Name: 1-[(3-cyanophenyl)methylsulfonyl]-4-hydroxy-pyrrolidine-2-carboxylic acid CAS Name: 1-[(3-cyanophenyl)methylsulfonyl]-4-hydroxy-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[(3-cyanophenyl)methylsulfonyl]-4-hydroxypyrrolidine-2-carboxylic acid Traditional Name: 1-(3-cyanobenzyl)sulfonyl-4-hydroxy-proline Formula: C13H14N2O5S MolecularWeight: 310.32566

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Descriptors Computed from Structure

Canonical SMILES:

C1C(CN(C1C(=O)O)S(=O)(=O)CC2=CC=CC(=C2)C#N)O

Isomeric SMILES

C1C(CN(C1C(=O)O)S(=O)(=O)CC2=CC=CC(=C2)C#N)O

InChI

InChI=1S/C13H14N2O5S/c14-6-9-2-1-3-10(4-9)8-21(19,20)15-7-11(16)5-12(15)13(17)18/h1-4,11-12,16H,5,7-8H2,(H,17,18)