2-[(4-bromanyl-3-methyl-phenyl)sulfonylamino]-4-methylsulfanyl-butanoic acid

Systemtic Name: 2-[(4-bromanyl-3-methyl-phenyl)sulfonylamino]-4-methylsulfanyl-butanoic acid Openeye Name: 2-[(4-bromo-3-methyl-phenyl)sulfonylamino]-4-methylsulfanyl-butanoic acid CAS Name: 2-[(4-bromo-3-methylphenyl)sulfonylamino]-4-(methylthio)butanoic acid IUPAC Name: 2-[(4-bromo-3-methylphenyl)sulfonylamino]-4-methylsulfanylbutanoic acid Traditional Name: 2-[(4-bromo-3-methyl-phenyl)sulfonylamino]-4-(methylthio)butyric acid Formula: C12H16BrNO4S2 MolecularWeight: 382.29374

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H16BrNO4S2/c1-8-7-9(3-4-10(8)13)20(17,18)14-11(12(15)16)5-6-19-2/h3-4,7,11,14H,5-6H2,1-2H3,(H,15,16)