2-[4-(2-methylbutanoylamino)phenyl]sulfonylethanoic acid

Systemtic Name: 2-[4-(2-methylbutanoylamino)phenyl]sulfonylethanoic acid Openeye Name: 2-[4-(2-methylbutanoylamino)phenyl]sulfonylacetic acid CAS Name: 2-[4-[(2-methyl-1-oxobutyl)amino]phenyl]sulfonylacetic acid IUPAC Name: 2-[4-(2-methylbutanoylamino)phenyl]sulfonylacetic acid Traditional Name: 2-[4-(2-methylbutanoylamino)phenyl]sulfonylacetic acid Formula: C13H17NO5S MolecularWeight: 299.34278

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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)