2-[(3-ethanoylphenyl)sulfonylamino]-4-methylsulfanyl-butanoic acid

Systemtic Name: 2-[(3-ethanoylphenyl)sulfonylamino]-4-methylsulfanyl-butanoic acid Openeye Name: 2-[(3-acetylphenyl)sulfonylamino]-4-methylsulfanyl-butanoic acid CAS Name: 2-[(3-acetylphenyl)sulfonylamino]-4-(methylthio)butanoic acid IUPAC Name: 2-[(3-acetylphenyl)sulfonylamino]-4-methylsulfanylbutanoic acid Traditional Name: 2-[(3-acetylphenyl)sulfonylamino]-4-(methylthio)butyric acid Formula: C13H17NO5S2 MolecularWeight: 331.40778

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=CC=C1)S(=O)(=O)NC(CCSC)C(=O)O

Isomeric SMILES

CC(=O)C1=CC(=CC=C1)S(=O)(=O)NC(CCSC)C(=O)O

InChI

InChI=1S/C13H17NO5S2/c1-9(15)10-4-3-5-11(8-10)21(18,19)14-12(13(16)17)6-7-20-2/h3-5,8,12,14H,6-7H2,1-2H3,(H,16,17)