2-[1-(isoquinolin-5-ylsulfonylamino)-3-methyl-pentan-2-yl]guanidine

Systemtic Name: 2-[1-(isoquinolin-5-ylsulfonylamino)-3-methyl-pentan-2-yl]guanidine Openeye Name: 2-[1-[(5-isoquinolylsulfonylamino)methyl]-2-methyl-butyl]guanidine CAS Name: 2-[1-(5-isoquinolinylsulfonylamino)-3-methylpentan-2-yl]guanidine IUPAC Name: 2-[1-(isoquinolin-5-ylsulfonylamino)-3-methylpentan-2-yl]guanidine Traditional Name: 2-[1-[(5-isoquinolylsulfonylamino)methyl]-2-methyl-butyl]guanidine Formula: C16H23N5O2S MolecularWeight: 349.45112

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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