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

Systemtic Name: 2-[(2-bromanyl-4-methyl-phenyl)sulfonylamino]-3-methyl-butanoic acid Openeye Name: 2-[(2-bromo-4-methyl-phenyl)sulfonylamino]-3-methyl-butanoic acid CAS Name: 2-[(2-bromo-4-methylphenyl)sulfonylamino]-3-methylbutanoic acid IUPAC Name: 2-[(2-bromo-4-methylphenyl)sulfonylamino]-3-methylbutanoic acid Traditional Name: 2-[(2-bromo-4-methyl-phenyl)sulfonylamino]-3-methyl-butyric acid Formula: C12H16BrNO4S MolecularWeight: 350.22874

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)S(=O)(=O)NC(C(C)C)C(=O)O)Br

Isomeric SMILES

CC1=CC(=C(C=C1)S(=O)(=O)NC(C(C)C)C(=O)O)Br

InChI

InChI=1S/C12H16BrNO4S/c1-7(2)11(12(15)16)14-19(17,18)10-5-4-8(3)6-9(10)13/h4-7,11,14H,1-3H3,(H,15,16)