3-[[2,2-bis(bromanyl)-2-(4-methylphenyl)sulfonyl-ethanoyl]amino]propanoic acid

Systemtic Name: 3-[[2,2-bis(bromanyl)-2-(4-methylphenyl)sulfonyl-ethanoyl]amino]propanoic acid Openeye Name: 3-[[2,2-dibromo-2-(p-tolylsulfonyl)acetyl]amino]propanoic acid CAS Name: 3-[[2,2-dibromo-2-(4-methylphenyl)sulfonyl-1-oxoethyl]amino]propanoic acid IUPAC Name: 3-[[2,2-dibromo-2-(4-methylphenyl)sulfonylacetyl]amino]propanoic acid Traditional Name: 3-[(2,2-dibromo-2-tosyl-acetyl)amino]propionic acid Formula: C12H13Br2NO5S MolecularWeight: 443.10832

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H13Br2NO5S/c1-8-2-4-9(5-3-8)21(19,20)12(13,14)11(18)15-7-6-10(16)17/h2-5H,6-7H2,1H3,(H,15,18)(H,16,17)