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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H18BrNO4S/c1-8(2)6-11(13(16)17)15-20(18,19)12-5-4-9(3)7-10(12)14/h4-5,7-8,11,15H,6H2,1-3H3,(H,16,17)