2-[4-[1-oxidanylidene-1-(prop-2-ynylamino)propan-2-yl]sulfonylphenyl]ethanoic acid

Systemtic Name: 2-[4-[1-oxidanylidene-1-(prop-2-ynylamino)propan-2-yl]sulfonylphenyl]ethanoic acid Openeye Name: 2-[4-[1-methyl-2-oxo-2-(prop-2-ynylamino)ethyl]sulfonylphenyl]acetic acid CAS Name: 2-[4-[1-oxo-1-(prop-2-ynylamino)propan-2-yl]sulfonylphenyl]acetic acid IUPAC Name: 2-[4-[1-oxo-1-(prop-2-ynylamino)propan-2-yl]sulfonylphenyl]acetic acid Traditional Name: 2-[4-[2-keto-1-methyl-2-(propargylamino)ethyl]sulfonylphenyl]acetic acid Formula: C14H15NO5S MolecularWeight: 309.3376

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC#C)S(=O)(=O)C1=CC=C(C=C1)CC(=O)O

Isomeric SMILES

CC(C(=O)NCC#C)S(=O)(=O)C1=CC=C(C=C1)CC(=O)O

InChI

InChI=1S/C14H15NO5S/c1-3-8-15-14(18)10(2)21(19,20)12-6-4-11(5-7-12)9-13(16)17/h1,4-7,10H,8-9H2,2H3,(H,15,18)(H,16,17)