3-[2-oxidanylidene-2-(prop-2-ynylamino)ethyl]sulfonylbenzoic acid

Systemtic Name: 3-[2-oxidanylidene-2-(prop-2-ynylamino)ethyl]sulfonylbenzoic acid Openeye Name: 3-[2-oxo-2-(prop-2-ynylamino)ethyl]sulfonylbenzoic acid CAS Name: 3-[2-oxo-2-(prop-2-ynylamino)ethyl]sulfonylbenzoic acid IUPAC Name: 3-[2-oxo-2-(prop-2-ynylamino)ethyl]sulfonylbenzoic acid Traditional Name: 3-[2-keto-2-(propargylamino)ethyl]sulfonylbenzoic acid Formula: C12H11NO5S MolecularWeight: 281.28444

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H11NO5S/c1-2-6-13-11(14)8-19(17,18)10-5-3-4-9(7-10)12(15)16/h1,3-5,7H,6,8H2,(H,13,14)(H,15,16)