2-[(3-cyanophenyl)methylsulfonylamino]-4-methylsulfanyl-butanoic acid

Systemtic Name: 2-[(3-cyanophenyl)methylsulfonylamino]-4-methylsulfanyl-butanoic acid Openeye Name: 2-[(3-cyanophenyl)methylsulfonylamino]-4-methylsulfanyl-butanoic acid CAS Name: 2-[(3-cyanophenyl)methylsulfonylamino]-4-(methylthio)butanoic acid IUPAC Name: 2-[(3-cyanophenyl)methylsulfonylamino]-4-methylsulfanylbutanoic acid Traditional Name: 2-[(3-cyanobenzyl)sulfonylamino]-4-(methylthio)butyric acid Formula: C13H16N2O4S2 MolecularWeight: 328.40714

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)O)NS(=O)(=O)CC1=CC=CC(=C1)C#N

Isomeric SMILES

CSCCC(C(=O)O)NS(=O)(=O)CC1=CC=CC(=C1)C#N

InChI

InChI=1S/C13H16N2O4S2/c1-20-6-5-12(13(16)17)15-21(18,19)9-11-4-2-3-10(7-11)8-14/h2-4,7,12,15H,5-6,9H2,1H3,(H,16,17)