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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H17NO5S/c1-10(9-13(16)17)14-12(15)7-8-20(18,19)11-5-3-2-4-6-11/h2-6,10H,7-9H2,1H3,(H,14,15)(H,16,17)