4-[methyl-[3-(phenylsulfonyl)propanoyl]amino]butanoic acid

Systemtic Name: 4-[methyl-[3-(phenylsulfonyl)propanoyl]amino]butanoic acid Openeye Name: 4-[3-(benzenesulfonyl)propanoyl-methyl-amino]butanoic acid CAS Name: 4-[[3-(benzenesulfonyl)-1-oxopropyl]-methylamino]butanoic acid IUPAC Name: 4-[3-(benzenesulfonyl)propanoyl-methylamino]butanoic acid Traditional Name: 4-[3-besylpropanoyl(methyl)amino]butyric acid Formula: C14H19NO5S MolecularWeight: 313.36936

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H19NO5S/c1-15(10-5-8-14(17)18)13(16)9-11-21(19,20)12-6-3-2-4-7-12/h2-4,6-7H,5,8-11H2,1H3,(H,17,18)