2-(isoquinolin-5-ylsulfonylamino)-3-methyl-butanoic acid

Systemtic Name: 2-(isoquinolin-5-ylsulfonylamino)-3-methyl-butanoic acid Openeye Name: 2-(5-isoquinolylsulfonylamino)-3-methyl-butanoic acid CAS Name: 2-(5-isoquinolinylsulfonylamino)-3-methylbutanoic acid IUPAC Name: 2-(isoquinolin-5-ylsulfonylamino)-3-methylbutanoic acid Traditional Name: 2-(5-isoquinolylsulfonylamino)-3-methyl-butyric acid Formula: C14H16N2O4S MolecularWeight: 308.35284

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H16N2O4S/c1-9(2)13(14(17)18)16-21(19,20)12-5-3-4-10-8-15-7-6-11(10)12/h3-9,13,16H,1-2H3,(H,17,18)