2-[3-(isoquinolin-5-ylsulfonylamino)-4-phenyl-butyl]guanidine

Systemtic Name: 2-[3-(isoquinolin-5-ylsulfonylamino)-4-phenyl-butyl]guanidine Openeye Name: 2-[3-(5-isoquinolylsulfonylamino)-4-phenyl-butyl]guanidine CAS Name: 2-[3-(5-isoquinolinylsulfonylamino)-4-phenylbutyl]guanidine IUPAC Name: 2-[3-(isoquinolin-5-ylsulfonylamino)-4-phenylbutyl]guanidine Traditional Name: 2-[3-(5-isoquinolylsulfonylamino)-4-phenyl-butyl]guanidine Formula: C20H23N5O2S MolecularWeight: 397.49392

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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