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

Systemtic Name: 2-bromanyl-5-[2-oxidanylidene-2-(prop-2-enylamino)ethyl]sulfonyl-benzoic acid Openeye Name: 5-[2-(allylamino)-2-oxo-ethyl]sulfonyl-2-bromo-benzoic acid CAS Name: 2-bromo-5-[2-oxo-2-(prop-2-enylamino)ethyl]sulfonylbenzoic acid IUPAC Name: 2-bromo-5-[2-oxo-2-(prop-2-enylamino)ethyl]sulfonylbenzoic acid Traditional Name: 5-[2-(allylamino)-2-keto-ethyl]sulfonyl-2-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=CC(=C(C=C1)Br)C(=O)O

Isomeric SMILES

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

InChI

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