2-[3-(phenylsulfonyl)propanoylamino]butanoic acid

Systemtic Name: 2-[3-(phenylsulfonyl)propanoylamino]butanoic acid Openeye Name: 2-[3-(benzenesulfonyl)propanoylamino]butanoic acid CAS Name: 2-[[3-(benzenesulfonyl)-1-oxopropyl]amino]butanoic acid IUPAC Name: 2-[3-(benzenesulfonyl)propanoylamino]butanoic acid Traditional Name: 2-(3-besylpropanoylamino)butyric acid Formula: C13H17NO5S MolecularWeight: 299.34278

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)O)NC(=O)CCS(=O)(=O)C1=CC=CC=C1

Isomeric SMILES

CCC(C(=O)O)NC(=O)CCS(=O)(=O)C1=CC=CC=C1

InChI

InChI=1S/C13H17NO5S/c1-2-11(13(16)17)14-12(15)8-9-20(18,19)10-6-4-3-5-7-10/h3-7,11H,2,8-9H2,1H3,(H,14,15)(H,16,17)