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

Systemtic Name: 2-bromanyl-5-[2-(methylamino)-2-oxidanylidene-ethyl]sulfonyl-benzoic acid Openeye Name: 2-bromo-5-[2-(methylamino)-2-oxo-ethyl]sulfonyl-benzoic acid CAS Name: 2-bromo-5-[2-(methylamino)-2-oxoethyl]sulfonylbenzoic acid IUPAC Name: 2-bromo-5-[2-(methylamino)-2-oxoethyl]sulfonylbenzoic acid Traditional Name: 2-bromo-5-[2-keto-2-(methylamino)ethyl]sulfonyl-benzoic acid Formula: C10H10BrNO5S MolecularWeight: 336.1591

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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