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

Systemtic Name: 4-bromanyl-3-[2-oxidanylidene-2-(prop-2-enylamino)ethyl]sulfonyl-benzoic acid Openeye Name: 3-[2-(allylamino)-2-oxo-ethyl]sulfonyl-4-bromo-benzoic acid CAS Name: 4-bromo-3-[2-oxo-2-(prop-2-enylamino)ethyl]sulfonylbenzoic acid IUPAC Name: 4-bromo-3-[2-oxo-2-(prop-2-enylamino)ethyl]sulfonylbenzoic acid Traditional Name: 3-[2-(allylamino)-2-keto-ethyl]sulfonyl-4-bromo-benzoic acid Formula: C12H12BrNO5S MolecularWeight: 362.19638

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H12BrNO5S/c1-2-5-14-11(15)7-20(18,19)10-6-8(12(16)17)3-4-9(10)13/h2-4,6H,1,5,7H2,(H,14,15)(H,16,17)