1-[3-(phenylsulfonyl)propanoyl]pyrrolidine-2-carboxylic acid

Systemtic Name: 1-[3-(phenylsulfonyl)propanoyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[3-(benzenesulfonyl)propanoyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[3-(benzenesulfonyl)-1-oxopropyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[3-(benzenesulfonyl)propanoyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-(3-besylpropanoyl)proline Formula: C14H17NO5S MolecularWeight: 311.35348

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)CCS(=O)(=O)C2=CC=CC=C2)C(=O)O

Isomeric SMILES

C1CC(N(C1)C(=O)CCS(=O)(=O)C2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C14H17NO5S/c16-13(15-9-4-7-12(15)14(17)18)8-10-21(19,20)11-5-2-1-3-6-11/h1-3,5-6,12H,4,7-10H2,(H,17,18)