2-[(5-bromanyl-2-methoxy-phenyl)sulfonylamino]-4-methylsulfanyl-butanoic acid

Systemtic Name: 2-[(5-bromanyl-2-methoxy-phenyl)sulfonylamino]-4-methylsulfanyl-butanoic acid Openeye Name: 2-[(5-bromo-2-methoxy-phenyl)sulfonylamino]-4-methylsulfanyl-butanoic acid CAS Name: 2-[(5-bromo-2-methoxyphenyl)sulfonylamino]-4-(methylthio)butanoic acid IUPAC Name: 2-[(5-bromo-2-methoxyphenyl)sulfonylamino]-4-methylsulfanylbutanoic acid Traditional Name: 2-[(5-bromo-2-methoxy-phenyl)sulfonylamino]-4-(methylthio)butyric acid Formula: C12H16BrNO5S2 MolecularWeight: 398.29314

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Br)S(=O)(=O)NC(CCSC)C(=O)O

Isomeric SMILES

COC1=C(C=C(C=C1)Br)S(=O)(=O)NC(CCSC)C(=O)O

InChI

InChI=1S/C12H16BrNO5S2/c1-19-10-4-3-8(13)7-11(10)21(17,18)14-9(12(15)16)5-6-20-2/h3-4,7,9,14H,5-6H2,1-2H3,(H,15,16)