2-[1-(isoquinolin-5-ylsulfonylamino)hexan-2-yl]guanidine

Systemtic Name: 2-[1-(isoquinolin-5-ylsulfonylamino)hexan-2-yl]guanidine Openeye Name: 2-[1-[(5-isoquinolylsulfonylamino)methyl]pentyl]guanidine CAS Name: 2-[1-(5-isoquinolinylsulfonylamino)hexan-2-yl]guanidine IUPAC Name: 2-[1-(isoquinolin-5-ylsulfonylamino)hexan-2-yl]guanidine Traditional Name: 2-[1-[(5-isoquinolylsulfonylamino)methyl]pentyl]guanidine Formula: C16H23N5O2S MolecularWeight: 349.45112

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H23N5O2S/c1-2-3-6-13(21-16(17)18)11-20-24(22,23)15-7-4-5-12-10-19-9-8-14(12)15/h4-5,7-10,13,20H,2-3,6,11H2,1H3,(H4,17,18,21)