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

Systemtic Name: 2-[(3-bromanyl-4-methoxy-phenyl)sulfonylamino]-3-methyl-butanoic acid Openeye Name: 2-[(3-bromo-4-methoxy-phenyl)sulfonylamino]-3-methyl-butanoic acid CAS Name: 2-[(3-bromo-4-methoxyphenyl)sulfonylamino]-3-methylbutanoic acid IUPAC Name: 2-[(3-bromo-4-methoxyphenyl)sulfonylamino]-3-methylbutanoic acid Traditional Name: 2-[(3-bromo-4-methoxy-phenyl)sulfonylamino]-3-methyl-butyric acid Formula: C12H16BrNO5S MolecularWeight: 366.22814

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H16BrNO5S/c1-7(2)11(12(15)16)14-20(17,18)8-4-5-10(19-3)9(13)6-8/h4-7,11,14H,1-3H3,(H,15,16)