2-[[4-(2-cyanoethylsulfonyl)phenyl]-ethyl-amino]ethanoic acid

Systemtic Name: 2-[[4-(2-cyanoethylsulfonyl)phenyl]-ethyl-amino]ethanoic acid Openeye Name: 2-[4-(2-cyanoethylsulfonyl)-N-ethyl-anilino]acetic acid CAS Name: 2-[4-(2-cyanoethylsulfonyl)-N-ethylanilino]acetic acid IUPAC Name: 2-[4-(2-cyanoethylsulfonyl)-N-ethylanilino]acetic acid Traditional Name: 2-[4-(2-cyanoethylsulfonyl)-N-ethyl-anilino]acetic acid Formula: C13H16N2O4S MolecularWeight: 296.34214

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC(=O)O)C1=CC=C(C=C1)S(=O)(=O)CCC#N

Isomeric SMILES

CCN(CC(=O)O)C1=CC=C(C=C1)S(=O)(=O)CCC#N

InChI

InChI=1S/C13H16N2O4S/c1-2-15(10-13(16)17)11-4-6-12(7-5-11)20(18,19)9-3-8-14/h4-7H,2-3,9-10H2,1H3,(H,16,17)