3-[4-[2-oxidanylidene-2-(propan-2-ylamino)ethyl]sulfonylphenyl]propanoic acid

Systemtic Name: 3-[4-[2-oxidanylidene-2-(propan-2-ylamino)ethyl]sulfonylphenyl]propanoic acid Openeye Name: 3-[4-[2-(isopropylamino)-2-oxo-ethyl]sulfonylphenyl]propanoic acid CAS Name: 3-[4-[2-oxo-2-(propan-2-ylamino)ethyl]sulfonylphenyl]propanoic acid IUPAC Name: 3-[4-[2-oxo-2-(propan-2-ylamino)ethyl]sulfonylphenyl]propanoic acid Traditional Name: 3-[4-[2-(isopropylamino)-2-keto-ethyl]sulfonylphenyl]propionic acid Formula: C14H19NO5S MolecularWeight: 313.36936

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H19NO5S/c1-10(2)15-13(16)9-21(19,20)12-6-3-11(4-7-12)5-8-14(17)18/h3-4,6-7,10H,5,8-9H2,1-2H3,(H,15,16)(H,17,18)