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

Systemtic Name: 2-(isoquinolin-5-ylsulfonylamino)-3-phenyl-propanoic acid; 2-phenylbenzamide Openeye Name: 2-(5-isoquinolylsulfonylamino)-3-phenyl-propanoic acid; 2-phenylbenzamide CAS Name: 2-(5-isoquinolinylsulfonylamino)-3-phenylpropanoic acid; 2-phenylbenzamide IUPAC Name: 2-(isoquinolin-5-ylsulfonylamino)-3-phenylpropanoic acid; 2-phenylbenzamide Traditional Name: 2-(5-isoquinolylsulfonylamino)-3-phenyl-propionic acid; 2-phenylbenzamide Formula: C31H27N3O5S MolecularWeight: 553.62818

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H16N2O4S.C13H11NO/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;14-13(15)12-9-5-4-8-11(12)10-6-2-1-3-7-10/h1-10,12,16,20H,11H2,(H,21,22);1-9H,(H2,14,15)