2-but-2-ynoxy-2-(phenylsulfonylamino)propanoic acid

Systemtic Name: 2-but-2-ynoxy-2-(phenylsulfonylamino)propanoic acid Openeye Name: 2-(benzenesulfonamido)-2-but-2-ynoxy-propanoic acid CAS Name: 2-(benzenesulfonamido)-2-but-2-ynoxypropanoic acid IUPAC Name: 2-(benzenesulfonamido)-2-but-2-ynoxypropanoic acid Traditional Name: 2-(benzenesulfonamido)-2-but-2-ynoxy-propionic acid Formula: C13H15NO5S MolecularWeight: 297.3269

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Descriptors Computed from Structure

Canonical SMILES:

CC#CCOC(C)(C(=O)O)NS(=O)(=O)C1=CC=CC=C1

Isomeric SMILES

CC#CCOC(C)(C(=O)O)NS(=O)(=O)C1=CC=CC=C1

InChI

InChI=1S/C13H15NO5S/c1-3-4-10-19-13(2,12(15)16)14-20(17,18)11-8-6-5-7-9-11/h5-9,14H,10H2,1-2H3,(H,15,16)