2-[(5-bromanyl-2-methoxy-phenyl)sulfonylamino]-3-methyl-butanoic acid

Systemtic Name: 2-[(5-bromanyl-2-methoxy-phenyl)sulfonylamino]-3-methyl-butanoic acid Openeye Name: 2-[(5-bromo-2-methoxy-phenyl)sulfonylamino]-3-methyl-butanoic acid CAS Name: 2-[(5-bromo-2-methoxyphenyl)sulfonylamino]-3-methylbutanoic acid IUPAC Name: 2-[(5-bromo-2-methoxyphenyl)sulfonylamino]-3-methylbutanoic acid Traditional Name: 2-[(5-bromo-2-methoxy-phenyl)sulfonylamino]-3-methyl-butyric acid Formula: C12H16BrNO5S MolecularWeight: 366.22814

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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