2,5-bis(chloranyl)-3-[1-(methylamino)-1-oxidanylidene-propan-2-yl]sulfonyl-benzoic acid

Systemtic Name: 2,5-bis(chloranyl)-3-[1-(methylamino)-1-oxidanylidene-propan-2-yl]sulfonyl-benzoic acid Openeye Name: 2,5-dichloro-3-[1-methyl-2-(methylamino)-2-oxo-ethyl]sulfonyl-benzoic acid CAS Name: 2,5-dichloro-3-[1-(methylamino)-1-oxopropan-2-yl]sulfonylbenzoic acid IUPAC Name: 2,5-dichloro-3-[1-(methylamino)-1-oxopropan-2-yl]sulfonylbenzoic acid Traditional Name: 2,5-dichloro-3-[2-keto-1-methyl-2-(methylamino)ethyl]sulfonyl-benzoic acid Formula: C11H11Cl2NO5S MolecularWeight: 340.17974

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC)S(=O)(=O)C1=C(C(=CC(=C1)Cl)C(=O)O)Cl

Isomeric SMILES

CC(C(=O)NC)S(=O)(=O)C1=C(C(=CC(=C1)Cl)C(=O)O)Cl

InChI

InChI=1S/C11H11Cl2NO5S/c1-5(10(15)14-2)20(18,19)8-4-6(12)3-7(9(8)13)11(16)17/h3-5H,1-2H3,(H,14,15)(H,16,17)