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

Systemtic Name: 2-bromanyl-5-[2-oxidanylidene-2-(prop-2-ynylamino)ethyl]sulfonyl-benzoic acid Openeye Name: 2-bromo-5-[2-oxo-2-(prop-2-ynylamino)ethyl]sulfonyl-benzoic acid CAS Name: 2-bromo-5-[2-oxo-2-(prop-2-ynylamino)ethyl]sulfonylbenzoic acid IUPAC Name: 2-bromo-5-[2-oxo-2-(prop-2-ynylamino)ethyl]sulfonylbenzoic acid Traditional Name: 2-bromo-5-[2-keto-2-(propargylamino)ethyl]sulfonyl-benzoic acid Formula: C12H10BrNO5S MolecularWeight: 360.1805

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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/C12H10BrNO5S/c1-2-5-14-11(15)7-20(18,19)8-3-4-10(13)9(6-8)12(16)17/h1,3-4,6H,5,7H2,(H,14,15)(H,16,17)