2-[2-(4-bromophenyl)sulfonylethylamino]-2-methyl-pentanoic acid

Systemtic Name: 2-[2-(4-bromophenyl)sulfonylethylamino]-2-methyl-pentanoic acid Openeye Name: 2-[2-(4-bromophenyl)sulfonylethylamino]-2-methyl-pentanoic acid CAS Name: 2-[2-(4-bromophenyl)sulfonylethylamino]-2-methylpentanoic acid IUPAC Name: 2-[2-(4-bromophenyl)sulfonylethylamino]-2-methylpentanoic acid Traditional Name: 2-(2-brosylethylamino)-2-methyl-valeric acid Formula: C14H20BrNO4S MolecularWeight: 378.2819

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H20BrNO4S/c1-3-8-14(2,13(17)18)16-9-10-21(19,20)12-6-4-11(15)5-7-12/h4-7,16H,3,8-10H2,1-2H3,(H,17,18)