2-[4-(isoquinolin-5-ylsulfonylamino)-2-methyl-butyl]guanidine

Systemtic Name: 2-[4-(isoquinolin-5-ylsulfonylamino)-2-methyl-butyl]guanidine Openeye Name: 2-[4-(5-isoquinolylsulfonylamino)-2-methyl-butyl]guanidine CAS Name: 2-[4-(5-isoquinolinylsulfonylamino)-2-methylbutyl]guanidine IUPAC Name: 2-[4-(isoquinolin-5-ylsulfonylamino)-2-methylbutyl]guanidine Traditional Name: 2-[4-(5-isoquinolylsulfonylamino)-2-methyl-butyl]guanidine Formula: C15H21N5O2S MolecularWeight: 335.42454

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(CCNS(=O)(=O)C1=CC=CC2=C1C=CN=C2)CN=C(N)N

Isomeric SMILES

CC(CCNS(=O)(=O)C1=CC=CC2=C1C=CN=C2)CN=C(N)N

InChI

InChI=1S/C15H21N5O2S/c1-11(9-19-15(16)17)5-8-20-23(21,22)14-4-2-3-12-10-18-7-6-13(12)14/h2-4,6-7,10-11,20H,5,8-9H2,1H3,(H4,16,17,19)