2-[5-(isoquinolin-5-ylsulfonylamino)-3-phenyl-pentyl]guanidine

Systemtic Name: 2-[5-(isoquinolin-5-ylsulfonylamino)-3-phenyl-pentyl]guanidine Openeye Name: 2-[5-(5-isoquinolylsulfonylamino)-3-phenyl-pentyl]guanidine CAS Name: 2-[5-(5-isoquinolinylsulfonylamino)-3-phenylpentyl]guanidine IUPAC Name: 2-[5-(isoquinolin-5-ylsulfonylamino)-3-phenylpentyl]guanidine Traditional Name: 2-[5-(5-isoquinolylsulfonylamino)-3-phenyl-pentyl]guanidine Formula: C21H25N5O2S MolecularWeight: 411.5205

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(CCNS(=O)(=O)C2=CC=CC3=C2C=CN=C3)CCN=C(N)N

Isomeric SMILES

C1=CC=C(C=C1)C(CCNS(=O)(=O)C2=CC=CC3=C2C=CN=C3)CCN=C(N)N

InChI

InChI=1S/C21H25N5O2S/c22-21(23)25-13-9-17(16-5-2-1-3-6-16)10-14-26-29(27,28)20-8-4-7-18-15-24-12-11-19(18)20/h1-8,11-12,15,17,26H,9-10,13-14H2,(H4,22,23,25)