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

Systemtic Name: 2-bromanyl-5-[2-(diethylamino)-2-oxidanylidene-ethyl]sulfonyl-benzoic acid Openeye Name: 2-bromo-5-[2-(diethylamino)-2-oxo-ethyl]sulfonyl-benzoic acid CAS Name: 2-bromo-5-[2-(diethylamino)-2-oxoethyl]sulfonylbenzoic acid IUPAC Name: 2-bromo-5-[2-(diethylamino)-2-oxoethyl]sulfonylbenzoic acid Traditional Name: 2-bromo-5-[2-(diethylamino)-2-keto-ethyl]sulfonyl-benzoic acid Formula: C13H16BrNO5S MolecularWeight: 378.23884

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H16BrNO5S/c1-3-15(4-2)12(16)8-21(19,20)9-5-6-11(14)10(7-9)13(17)18/h5-7H,3-4,8H2,1-2H3,(H,17,18)