2-bromanyl-5-[2-(dimethylamino)-2-oxidanylidene-ethyl]sulfonyl-benzoic acid

Systemtic Name: 2-bromanyl-5-[2-(dimethylamino)-2-oxidanylidene-ethyl]sulfonyl-benzoic acid Openeye Name: 2-bromo-5-[2-(dimethylamino)-2-oxo-ethyl]sulfonyl-benzoic acid CAS Name: 2-bromo-5-[2-(dimethylamino)-2-oxoethyl]sulfonylbenzoic acid IUPAC Name: 2-bromo-5-[2-(dimethylamino)-2-oxoethyl]sulfonylbenzoic acid Traditional Name: 2-bromo-5-[2-(dimethylamino)-2-keto-ethyl]sulfonyl-benzoic acid Formula: C11H12BrNO5S MolecularWeight: 350.18568

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(=O)CS(=O)(=O)C1=CC(=C(C=C1)Br)C(=O)O

Isomeric SMILES

CN(C)C(=O)CS(=O)(=O)C1=CC(=C(C=C1)Br)C(=O)O

InChI

InChI=1S/C11H12BrNO5S/c1-13(2)10(14)6-19(17,18)7-3-4-9(12)8(5-7)11(15)16/h3-5H,6H2,1-2H3,(H,15,16)