(2R)-2-[2-[(4-ethylphenyl)amino]-2-oxidanylidene-ethyl]sulfonylpropanoic acid

Systemtic Name: (2R)-2-[2-[(4-ethylphenyl)amino]-2-oxidanylidene-ethyl]sulfonylpropanoic acid Openeye Name: (2R)-2-[2-(4-ethylanilino)-2-oxo-ethyl]sulfonylpropanoic acid CAS Name: (2R)-2-[2-(4-ethylanilino)-2-oxoethyl]sulfonylpropanoic acid IUPAC Name: (2R)-2-[2-(4-ethylanilino)-2-oxoethyl]sulfonylpropanoic acid Traditional Name: (2R)-2-[2-(4-ethylanilino)-2-keto-ethyl]sulfonylpropionic acid Formula: C13H17NO5S MolecularWeight: 299.34278

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)NC(=O)CS(=O)(=O)C(C)C(=O)O

Isomeric SMILES

CCC1=CC=C(C=C1)NC(=O)CS(=O)(=O)[C@H](C)C(=O)O

InChI

InChI=1S/C13H17NO5S/c1-3-10-4-6-11(7-5-10)14-12(15)8-20(18,19)9(2)13(16)17/h4-7,9H,3,8H2,1-2H3,(H,14,15)(H,16,17)/t9-/m1/s1