3-(isoquinolin-5-ylsulfonylamino)butanoic acid

Systemtic Name: 3-(isoquinolin-5-ylsulfonylamino)butanoic acid Openeye Name: 3-(5-isoquinolylsulfonylamino)butanoic acid CAS Name: 3-(5-isoquinolinylsulfonylamino)butanoic acid IUPAC Name: 3-(isoquinolin-5-ylsulfonylamino)butanoic acid Traditional Name: 3-(5-isoquinolylsulfonylamino)butyric acid Formula: C13H14N2O4S MolecularWeight: 294.32626

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H14N2O4S/c1-9(7-13(16)17)15-20(18,19)12-4-2-3-10-8-14-6-5-11(10)12/h2-6,8-9,15H,7H2,1H3,(H,16,17)