2-[4-[2-oxidanylidene-2-(prop-2-ynylamino)ethyl]sulfonylphenyl]ethanoic acid

Systemtic Name: 2-[4-[2-oxidanylidene-2-(prop-2-ynylamino)ethyl]sulfonylphenyl]ethanoic acid Openeye Name: 2-[4-[2-oxo-2-(prop-2-ynylamino)ethyl]sulfonylphenyl]acetic acid CAS Name: 2-[4-[2-oxo-2-(prop-2-ynylamino)ethyl]sulfonylphenyl]acetic acid IUPAC Name: 2-[4-[2-oxo-2-(prop-2-ynylamino)ethyl]sulfonylphenyl]acetic acid Traditional Name: 2-[4-[2-keto-2-(propargylamino)ethyl]sulfonylphenyl]acetic acid Formula: C13H13NO5S MolecularWeight: 295.31102

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H13NO5S/c1-2-7-14-12(15)9-20(18,19)11-5-3-10(4-6-11)8-13(16)17/h1,3-6H,7-9H2,(H,14,15)(H,16,17)