3-[(2-bromanyl-4,5-dimethoxy-phenyl)sulfonylamino]butanoic acid

Systemtic Name: 3-[(2-bromanyl-4,5-dimethoxy-phenyl)sulfonylamino]butanoic acid Openeye Name: 3-[(2-bromo-4,5-dimethoxy-phenyl)sulfonylamino]butanoic acid CAS Name: 3-[(2-bromo-4,5-dimethoxyphenyl)sulfonylamino]butanoic acid IUPAC Name: 3-[(2-bromo-4,5-dimethoxyphenyl)sulfonylamino]butanoic acid Traditional Name: 3-[(2-bromo-4,5-dimethoxy-phenyl)sulfonylamino]butyric acid Formula: C12H16BrNO6S MolecularWeight: 382.22754

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=O)O)NS(=O)(=O)C1=C(C=C(C(=C1)OC)OC)Br

Isomeric SMILES

CC(CC(=O)O)NS(=O)(=O)C1=C(C=C(C(=C1)OC)OC)Br

InChI

InChI=1S/C12H16BrNO6S/c1-7(4-12(15)16)14-21(17,18)11-6-10(20-3)9(19-2)5-8(11)13/h5-7,14H,4H2,1-3H3,(H,15,16)