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

Systemtic Name: 2-[(3,4-dimethylphenyl)sulfonylamino]-4-methylsulfanyl-butanoic acid Openeye Name: 2-[(3,4-dimethylphenyl)sulfonylamino]-4-methylsulfanyl-butanoic acid CAS Name: 2-[(3,4-dimethylphenyl)sulfonylamino]-4-(methylthio)butanoic acid IUPAC Name: 2-[(3,4-dimethylphenyl)sulfonylamino]-4-methylsulfanylbutanoic acid Traditional Name: 2-[(3,4-dimethylphenyl)sulfonylamino]-4-(methylthio)butyric acid Formula: C13H19NO4S2 MolecularWeight: 317.42426

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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