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

Systemtic Name: 2-[3-(phenylsulfonyl)propanoylamino]pentanoic acid Openeye Name: 2-[3-(benzenesulfonyl)propanoylamino]pentanoic acid CAS Name: 2-[[3-(benzenesulfonyl)-1-oxopropyl]amino]pentanoic acid IUPAC Name: 2-[3-(benzenesulfonyl)propanoylamino]pentanoic acid Traditional Name: 2-(3-besylpropanoylamino)valeric acid Formula: C14H19NO5S MolecularWeight: 313.36936

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H19NO5S/c1-2-6-12(14(17)18)15-13(16)9-10-21(19,20)11-7-4-3-5-8-11/h3-5,7-8,12H,2,6,9-10H2,1H3,(H,15,16)(H,17,18)