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

Systemtic Name: 2-[(5-bromanyl-2-methyl-phenyl)sulfonylamino]-3-methyl-butanoic acid Openeye Name: 2-[(5-bromo-2-methyl-phenyl)sulfonylamino]-3-methyl-butanoic acid CAS Name: 2-[(5-bromo-2-methylphenyl)sulfonylamino]-3-methylbutanoic acid IUPAC Name: 2-[(5-bromo-2-methylphenyl)sulfonylamino]-3-methylbutanoic acid Traditional Name: 2-[(5-bromo-2-methyl-phenyl)sulfonylamino]-3-methyl-butyric acid Formula: C12H16BrNO4S MolecularWeight: 350.22874

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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