2-[4-[2-oxidanylidene-2-(propan-2-ylamino)ethyl]sulfonylphenyl]ethanoic acid

Systemtic Name: 2-[4-[2-oxidanylidene-2-(propan-2-ylamino)ethyl]sulfonylphenyl]ethanoic acid Openeye Name: 2-[4-[2-(isopropylamino)-2-oxo-ethyl]sulfonylphenyl]acetic acid CAS Name: 2-[4-[2-oxo-2-(propan-2-ylamino)ethyl]sulfonylphenyl]acetic acid IUPAC Name: 2-[4-[2-oxo-2-(propan-2-ylamino)ethyl]sulfonylphenyl]acetic acid Traditional Name: 2-[4-[2-(isopropylamino)-2-keto-ethyl]sulfonylphenyl]acetic acid Formula: C13H17NO5S MolecularWeight: 299.34278

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)CS(=O)(=O)C1=CC=C(C=C1)CC(=O)O

Isomeric SMILES

CC(C)NC(=O)CS(=O)(=O)C1=CC=C(C=C1)CC(=O)O

InChI

InChI=1S/C13H17NO5S/c1-9(2)14-12(15)8-20(18,19)11-5-3-10(4-6-11)7-13(16)17/h3-6,9H,7-8H2,1-2H3,(H,14,15)(H,16,17)