2-[4-(isoquinolin-5-ylsulfonylamino)-1-phenyl-butan-2-yl]guanidine

Systemtic Name: 2-[4-(isoquinolin-5-ylsulfonylamino)-1-phenyl-butan-2-yl]guanidine Openeye Name: 2-[1-benzyl-3-(5-isoquinolylsulfonylamino)propyl]guanidine CAS Name: 2-[4-(5-isoquinolinylsulfonylamino)-1-phenylbutan-2-yl]guanidine IUPAC Name: 2-[4-(isoquinolin-5-ylsulfonylamino)-1-phenylbutan-2-yl]guanidine Traditional Name: 2-[1-benzyl-3-(5-isoquinolylsulfonylamino)propyl]guanidine Formula: C20H23N5O2S MolecularWeight: 397.49392

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23N5O2S/c21-20(22)25-17(13-15-5-2-1-3-6-15)9-12-24-28(26,27)19-8-4-7-16-14-23-11-10-18(16)19/h1-8,10-11,14,17,24H,9,12-13H2,(H4,21,22,25)