4-bromanyl-3-[2-(methylamino)-2-oxidanylidene-ethyl]sulfonyl-benzoic acid

Systemtic Name: 4-bromanyl-3-[2-(methylamino)-2-oxidanylidene-ethyl]sulfonyl-benzoic acid Openeye Name: 4-bromo-3-[2-(methylamino)-2-oxo-ethyl]sulfonyl-benzoic acid CAS Name: 4-bromo-3-[2-(methylamino)-2-oxoethyl]sulfonylbenzoic acid IUPAC Name: 4-bromo-3-[2-(methylamino)-2-oxoethyl]sulfonylbenzoic acid Traditional Name: 4-bromo-3-[2-keto-2-(methylamino)ethyl]sulfonyl-benzoic acid Formula: C10H10BrNO5S MolecularWeight: 336.1591

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H10BrNO5S/c1-12-9(13)5-18(16,17)8-4-6(10(14)15)2-3-7(8)11/h2-4H,5H2,1H3,(H,12,13)(H,14,15)