3-(isoquinolin-5-ylsulfonylamino)propanoic acid

Systemtic Name: 3-(isoquinolin-5-ylsulfonylamino)propanoic acid Openeye Name: 3-(5-isoquinolylsulfonylamino)propanoic acid CAS Name: 3-(5-isoquinolinylsulfonylamino)propanoic acid IUPAC Name: 3-(isoquinolin-5-ylsulfonylamino)propanoic acid Traditional Name: 3-(5-isoquinolylsulfonylamino)propionic acid Formula: C12H12N2O4S MolecularWeight: 280.29968

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H12N2O4S/c15-12(16)5-7-14-19(17,18)11-3-1-2-9-8-13-6-4-10(9)11/h1-4,6,8,14H,5,7H2,(H,15,16)