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

Systemtic Name: 2-[(5-bromanyl-2-methyl-phenyl)sulfonylamino]-3-methyl-pentanoic acid Openeye Name: 2-[(5-bromo-2-methyl-phenyl)sulfonylamino]-3-methyl-pentanoic acid CAS Name: 2-[(5-bromo-2-methylphenyl)sulfonylamino]-3-methylpentanoic acid IUPAC Name: 2-[(5-bromo-2-methylphenyl)sulfonylamino]-3-methylpentanoic acid Traditional Name: 2-[(5-bromo-2-methyl-phenyl)sulfonylamino]-3-methyl-valeric acid Formula: C13H18BrNO4S MolecularWeight: 364.25532

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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