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

Systemtic Name: 2-[2-[(isoquinolin-5-ylsulfonylamino)methyl]-3-phenyl-propyl]guanidine Openeye Name: 2-[2-benzyl-3-(5-isoquinolylsulfonylamino)propyl]guanidine CAS Name: 2-[2-[(5-isoquinolinylsulfonylamino)methyl]-3-phenylpropyl]guanidine IUPAC Name: 2-[2-benzyl-3-(isoquinolin-5-ylsulfonylamino)propyl]guanidine Traditional Name: 2-[2-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(CNS(=O)(=O)C2=CC=CC3=C2C=CN=C3)CN=C(N)N

Isomeric SMILES

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

InChI

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