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

Systemtic Name: 2-[4-[2-(butan-2-ylamino)-2-oxidanylidene-ethyl]sulfonylphenyl]ethanoic acid Openeye Name: 2-[4-[2-oxo-2-(sec-butylamino)ethyl]sulfonylphenyl]acetic acid CAS Name: 2-[4-[2-(butan-2-ylamino)-2-oxoethyl]sulfonylphenyl]acetic acid IUPAC Name: 2-[4-[2-(butan-2-ylamino)-2-oxoethyl]sulfonylphenyl]acetic acid Traditional Name: 2-[4-[2-keto-2-(sec-butylamino)ethyl]sulfonylphenyl]acetic acid Formula: C14H19NO5S MolecularWeight: 313.36936

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H19NO5S/c1-3-10(2)15-13(16)9-21(19,20)12-6-4-11(5-7-12)8-14(17)18/h4-7,10H,3,8-9H2,1-2H3,(H,15,16)(H,17,18)