2-(isoquinolin-5-ylsulfonylamino)-3-oxidanyl-butanoic acid

Systemtic Name: 2-(isoquinolin-5-ylsulfonylamino)-3-oxidanyl-butanoic acid Openeye Name: 3-hydroxy-2-(5-isoquinolylsulfonylamino)butanoic acid CAS Name: 3-hydroxy-2-(5-isoquinolinylsulfonylamino)butanoic acid IUPAC Name: 3-hydroxy-2-(isoquinolin-5-ylsulfonylamino)butanoic acid Traditional Name: 3-hydroxy-2-(5-isoquinolylsulfonylamino)butyric acid Formula: C13H14N2O5S MolecularWeight: 310.32566

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(C(=O)O)NS(=O)(=O)C1=CC=CC2=C1C=CN=C2)O

Isomeric SMILES

CC(C(C(=O)O)NS(=O)(=O)C1=CC=CC2=C1C=CN=C2)O

InChI

InChI=1S/C13H14N2O5S/c1-8(16)12(13(17)18)15-21(19,20)11-4-2-3-9-7-14-6-5-10(9)11/h2-8,12,15-16H,1H3,(H,17,18)