2-(isoquinolin-5-ylsulfonylamino)butanoic acid

Systemtic Name: 2-(isoquinolin-5-ylsulfonylamino)butanoic acid Openeye Name: 2-(5-isoquinolylsulfonylamino)butanoic acid CAS Name: 2-(5-isoquinolinylsulfonylamino)butanoic acid IUPAC Name: 2-(isoquinolin-5-ylsulfonylamino)butanoic acid Traditional Name: 2-(5-isoquinolylsulfonylamino)butyric acid Formula: C13H14N2O4S MolecularWeight: 294.32626

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H14N2O4S/c1-2-11(13(16)17)15-20(18,19)12-5-3-4-9-8-14-7-6-10(9)12/h3-8,11,15H,2H2,1H3,(H,16,17)