2-(isoquinolin-5-ylsulfonylamino)propanoic acid

Systemtic Name: 2-(isoquinolin-5-ylsulfonylamino)propanoic acid Openeye Name: 2-(5-isoquinolylsulfonylamino)propanoic acid CAS Name: 2-(5-isoquinolinylsulfonylamino)propanoic acid IUPAC Name: 2-(isoquinolin-5-ylsulfonylamino)propanoic acid Traditional Name: 2-(5-isoquinolylsulfonylamino)propionic acid Formula: C12H12N2O4S MolecularWeight: 280.29968

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H12N2O4S/c1-8(12(15)16)14-19(17,18)11-4-2-3-9-7-13-6-5-10(9)11/h2-8,14H,1H3,(H,15,16)