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

Systemtic Name: 2-(isoquinolin-5-ylsulfonylamino)-3-oxidanyl-propanoic acid Openeye Name: 3-hydroxy-2-(5-isoquinolylsulfonylamino)propanoic acid CAS Name: 3-hydroxy-2-(5-isoquinolinylsulfonylamino)propanoic acid IUPAC Name: 3-hydroxy-2-(isoquinolin-5-ylsulfonylamino)propanoic acid Traditional Name: 3-hydroxy-2-(5-isoquinolylsulfonylamino)propionic acid Formula: C12H12N2O5S MolecularWeight: 296.29908

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=CN=C2)C(=C1)S(=O)(=O)NC(CO)C(=O)O

Isomeric SMILES

C1=CC2=C(C=CN=C2)C(=C1)S(=O)(=O)NC(CO)C(=O)O

InChI

InChI=1S/C12H12N2O5S/c15-7-10(12(16)17)14-20(18,19)11-3-1-2-8-6-13-5-4-9(8)11/h1-6,10,14-15H,7H2,(H,16,17)