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

Systemtic Name: 4-bromanyl-3-[2-(cyanomethylamino)-2-oxidanylidene-ethyl]sulfonyl-benzoic acid Openeye Name: 4-bromo-3-[2-(cyanomethylamino)-2-oxo-ethyl]sulfonyl-benzoic acid CAS Name: 4-bromo-3-[2-(cyanomethylamino)-2-oxoethyl]sulfonylbenzoic acid IUPAC Name: 4-bromo-3-[2-(cyanomethylamino)-2-oxoethyl]sulfonylbenzoic acid Traditional Name: 4-bromo-3-[2-(cyanomethylamino)-2-keto-ethyl]sulfonyl-benzoic acid Formula: C11H9BrN2O5S MolecularWeight: 361.16856

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C(=O)O)S(=O)(=O)CC(=O)NCC#N)Br

Isomeric SMILES

C1=CC(=C(C=C1C(=O)O)S(=O)(=O)CC(=O)NCC#N)Br

InChI

InChI=1S/C11H9BrN2O5S/c12-8-2-1-7(11(16)17)5-9(8)20(18,19)6-10(15)14-4-3-13/h1-2,5H,4,6H2,(H,14,15)(H,16,17)