2-[(2,5-dimethylphenyl)sulfonylamino]-4-methylsulfanyl-butanoic acid

Systemtic Name: 2-[(2,5-dimethylphenyl)sulfonylamino]-4-methylsulfanyl-butanoic acid Openeye Name: 2-[(2,5-dimethylphenyl)sulfonylamino]-4-methylsulfanyl-butanoic acid CAS Name: 2-[(2,5-dimethylphenyl)sulfonylamino]-4-(methylthio)butanoic acid IUPAC Name: 2-[(2,5-dimethylphenyl)sulfonylamino]-4-methylsulfanylbutanoic acid Traditional Name: 2-[(2,5-dimethylphenyl)sulfonylamino]-4-(methylthio)butyric acid Formula: C13H19NO4S2 MolecularWeight: 317.42426

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)S(=O)(=O)NC(CCSC)C(=O)O

Isomeric SMILES

CC1=CC(=C(C=C1)C)S(=O)(=O)NC(CCSC)C(=O)O

InChI

InChI=1S/C13H19NO4S2/c1-9-4-5-10(2)12(8-9)20(17,18)14-11(13(15)16)6-7-19-3/h4-5,8,11,14H,6-7H2,1-3H3,(H,15,16)