2-[4-(2-methylbutanoylamino)phenyl]sulfonylethanoate

Systemtic Name: 2-[4-(2-methylbutanoylamino)phenyl]sulfonylethanoate Openeye Name: 2-[4-(2-methylbutanoylamino)phenyl]sulfonylacetate CAS Name: 2-[4-[(2-methyl-1-oxobutyl)amino]phenyl]sulfonylacetate IUPAC Name: 2-[4-(2-methylbutanoylamino)phenyl]sulfonylacetate Traditional Name: 2-[4-(2-methylbutanoylamino)phenyl]sulfonylacetate Formula: C13H16NO5S- MolecularWeight: 298.33484

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(=O)NC1=CC=C(C=C1)S(=O)(=O)CC(=O)[O-]

Isomeric SMILES

CCC(C)C(=O)NC1=CC=C(C=C1)S(=O)(=O)CC(=O)[O-]

InChI

InChI=1S/C13H17NO5S/c1-3-9(2)13(17)14-10-4-6-11(7-5-10)20(18,19)8-12(15)16/h4-7,9H,3,8H2,1-2H3,(H,14,17)(H,15,16)/p-1