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

Systemtic Name: 1-[(3-cyanophenyl)methylsulfonyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[(3-cyanophenyl)methylsulfonyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[(3-cyanophenyl)methylsulfonyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[(3-cyanophenyl)methylsulfonyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-(3-cyanobenzyl)sulfonylproline Formula: C13H14N2O4S MolecularWeight: 294.32626

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)S(=O)(=O)CC2=CC=CC(=C2)C#N)C(=O)O

Isomeric SMILES

C1CC(N(C1)S(=O)(=O)CC2=CC=CC(=C2)C#N)C(=O)O

InChI

InChI=1S/C13H14N2O4S/c14-8-10-3-1-4-11(7-10)9-20(18,19)15-6-2-5-12(15)13(16)17/h1,3-4,7,12H,2,5-6,9H2,(H,16,17)