2-[[2-bromanyl-2-(4-methylphenyl)sulfonyl-ethanoyl]amino]ethanesulfonic acid

Systemtic Name: 2-[[2-bromanyl-2-(4-methylphenyl)sulfonyl-ethanoyl]amino]ethanesulfonic acid Openeye Name: 2-[[2-bromo-2-(p-tolylsulfonyl)acetyl]amino]ethanesulfonic acid CAS Name: 2-[[2-bromo-2-(4-methylphenyl)sulfonyl-1-oxoethyl]amino]ethanesulfonic acid IUPAC Name: 2-[[2-bromo-2-(4-methylphenyl)sulfonylacetyl]amino]ethanesulfonic acid Traditional Name: 2-[(2-bromo-2-tosyl-acetyl)amino]ethanesulfonic acid Formula: C11H14BrNO6S2 MolecularWeight: 400.26596

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H14BrNO6S2/c1-8-2-4-9(5-3-8)21(18,19)10(12)11(14)13-6-7-20(15,16)17/h2-5,10H,6-7H2,1H3,(H,13,14)(H,15,16,17)