2-[2-(4-bromophenyl)sulfonylethylamino]-3-methyl-butanoic acid

Systemtic Name: 2-[2-(4-bromophenyl)sulfonylethylamino]-3-methyl-butanoic acid Openeye Name: 2-[2-(4-bromophenyl)sulfonylethylamino]-3-methyl-butanoic acid CAS Name: 2-[2-(4-bromophenyl)sulfonylethylamino]-3-methylbutanoic acid IUPAC Name: 2-[2-(4-bromophenyl)sulfonylethylamino]-3-methylbutanoic acid Traditional Name: 2-(2-brosylethylamino)-3-methyl-butyric acid Formula: C13H18BrNO4S MolecularWeight: 364.25532

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)O)NCCS(=O)(=O)C1=CC=C(C=C1)Br

Isomeric SMILES

CC(C)C(C(=O)O)NCCS(=O)(=O)C1=CC=C(C=C1)Br

InChI

InChI=1S/C13H18BrNO4S/c1-9(2)12(13(16)17)15-7-8-20(18,19)11-5-3-10(14)4-6-11/h3-6,9,12,15H,7-8H2,1-2H3,(H,16,17)