4-(isoquinolin-5-ylsulfonylamino)butanoic acid

Systemtic Name: 4-(isoquinolin-5-ylsulfonylamino)butanoic acid Openeye Name: 4-(5-isoquinolylsulfonylamino)butanoic acid CAS Name: 4-(5-isoquinolinylsulfonylamino)butanoic acid IUPAC Name: 4-(isoquinolin-5-ylsulfonylamino)butanoic acid Traditional Name: 4-(5-isoquinolylsulfonylamino)butyric acid Formula: C13H14N2O4S MolecularWeight: 294.32626

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=CN=C2)C(=C1)S(=O)(=O)NCCCC(=O)O

Isomeric SMILES

C1=CC2=C(C=CN=C2)C(=C1)S(=O)(=O)NCCCC(=O)O

InChI

InChI=1S/C13H14N2O4S/c16-13(17)5-2-7-15-20(18,19)12-4-1-3-10-9-14-8-6-11(10)12/h1,3-4,6,8-9,15H,2,5,7H2,(H,16,17)