2-[[4-(cyanomethylsulfonyl)phenyl]-propyl-amino]ethanoic acid

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCN(CC(=O)O)C1=CC=C(C=C1)S(=O)(=O)CC#N

Isomeric SMILES

CCCN(CC(=O)O)C1=CC=C(C=C1)S(=O)(=O)CC#N

InChI

InChI=1S/C13H16N2O4S/c1-2-8-15(10-13(16)17)11-3-5-12(6-4-11)20(18,19)9-7-14/h3-6H,2,8-10H2,1H3,(H,16,17)