4-[(3-ethanoylphenyl)sulfonyl-methyl-amino]butanoic acid

Systemtic Name: 4-[(3-ethanoylphenyl)sulfonyl-methyl-amino]butanoic acid Openeye Name: 4-[(3-acetylphenyl)sulfonyl-methyl-amino]butanoic acid CAS Name: 4-[(3-acetylphenyl)sulfonyl-methylamino]butanoic acid IUPAC Name: 4-[(3-acetylphenyl)sulfonyl-methylamino]butanoic acid Traditional Name: 4-[(3-acetylphenyl)sulfonyl-methyl-amino]butyric acid Formula: C13H17NO5S MolecularWeight: 299.34278

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=CC=C1)S(=O)(=O)N(C)CCCC(=O)O

Isomeric SMILES

CC(=O)C1=CC(=CC=C1)S(=O)(=O)N(C)CCCC(=O)O

InChI

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