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

Systemtic Name: 2-(isoquinolin-5-ylsulfonylamino)-3-phenyl-propanoic acid Openeye Name: 2-(5-isoquinolylsulfonylamino)-3-phenyl-propanoic acid CAS Name: 2-(5-isoquinolinylsulfonylamino)-3-phenylpropanoic acid IUPAC Name: 2-(isoquinolin-5-ylsulfonylamino)-3-phenylpropanoic acid Traditional Name: 2-(5-isoquinolylsulfonylamino)-3-phenyl-propionic acid Formula: C18H16N2O4S MolecularWeight: 356.39564

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C(=O)O)NS(=O)(=O)C2=CC=CC3=C2C=CN=C3

Isomeric SMILES

C1=CC=C(C=C1)CC(C(=O)O)NS(=O)(=O)C2=CC=CC3=C2C=CN=C3

InChI

InChI=1S/C18H16N2O4S/c21-18(22)16(11-13-5-2-1-3-6-13)20-25(23,24)17-8-4-7-14-12-19-10-9-15(14)17/h1-10,12,16,20H,11H2,(H,21,22)