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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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