potassium 2-[[2,2-bis(bromanyl)-2-(4-methylphenyl)sulfonyl-ethanoyl]amino]ethanesulfonate

Systemtic Name: potassium 2-[[2,2-bis(bromanyl)-2-(4-methylphenyl)sulfonyl-ethanoyl]amino]ethanesulfonate Openeye Name: potassium 2-[[2,2-dibromo-2-(p-tolylsulfonyl)acetyl]amino]ethanesulfonate CAS Name: potassium 2-[[2,2-dibromo-2-(4-methylphenyl)sulfonyl-1-oxoethyl]amino]ethanesulfonate IUPAC Name: potassium 2-[[2,2-dibromo-2-(4-methylphenyl)sulfonylacetyl]amino]ethanesulfonate Traditional Name: potassium 2-[(2,2-dibromo-2-tosyl-acetyl)amino]ethanesulfonate Formula: C11H12Br2KNO6S2 MolecularWeight: 517.25238

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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)Br.[K+]

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)C(C(=O)NCCS(=O)(=O)[O-])(Br)Br.[K+]

InChI

InChI=1S/C11H13Br2NO6S2.K/c1-8-2-4-9(5-3-8)22(19,20)11(12,13)10(15)14-6-7-21(16,17)18;/h2-5H,6-7H2,1H3,(H,14,15)(H,16,17,18);/q;+1/p-1