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

Systemtic Name: 2-[(5-bromanyl-2-methoxy-phenyl)sulfonylamino]-2-methyl-pentanoic acid Openeye Name: 2-[(5-bromo-2-methoxy-phenyl)sulfonylamino]-2-methyl-pentanoic acid CAS Name: 2-[(5-bromo-2-methoxyphenyl)sulfonylamino]-2-methylpentanoic acid IUPAC Name: 2-[(5-bromo-2-methoxyphenyl)sulfonylamino]-2-methylpentanoic acid Traditional Name: 2-[(5-bromo-2-methoxy-phenyl)sulfonylamino]-2-methyl-valeric acid Formula: C13H18BrNO5S MolecularWeight: 380.25472

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H18BrNO5S/c1-4-7-13(2,12(16)17)15-21(18,19)11-8-9(14)5-6-10(11)20-3/h5-6,8,15H,4,7H2,1-3H3,(H,16,17)