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

Systemtic Name: 2-[(4-bromanyl-3-methyl-phenyl)sulfonylamino]-2-methyl-pentanoic acid Openeye Name: 2-[(4-bromo-3-methyl-phenyl)sulfonylamino]-2-methyl-pentanoic acid CAS Name: 2-[(4-bromo-3-methylphenyl)sulfonylamino]-2-methylpentanoic acid IUPAC Name: 2-[(4-bromo-3-methylphenyl)sulfonylamino]-2-methylpentanoic acid Traditional Name: 2-[(4-bromo-3-methyl-phenyl)sulfonylamino]-2-methyl-valeric acid Formula: C13H18BrNO4S MolecularWeight: 364.25532

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H18BrNO4S/c1-4-7-13(3,12(16)17)15-20(18,19)10-5-6-11(14)9(2)8-10/h5-6,8,15H,4,7H2,1-3H3,(H,16,17)