2-[2-[isoquinolin-5-ylsulfonyl(methyl)amino]ethyl]guanidine

Systemtic Name: 2-[2-[isoquinolin-5-ylsulfonyl(methyl)amino]ethyl]guanidine Openeye Name: 2-[2-[5-isoquinolylsulfonyl(methyl)amino]ethyl]guanidine CAS Name: 2-[2-[5-isoquinolinylsulfonyl(methyl)amino]ethyl]guanidine IUPAC Name: 2-[2-[isoquinolin-5-ylsulfonyl(methyl)amino]ethyl]guanidine Traditional Name: 2-[2-[5-isoquinolylsulfonyl(methyl)amino]ethyl]guanidine Formula: C13H17N5O2S MolecularWeight: 307.37138

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H17N5O2S/c1-18(8-7-17-13(14)15)21(19,20)12-4-2-3-10-9-16-6-5-11(10)12/h2-6,9H,7-8H2,1H3,(H4,14,15,17)