2-[5-(isoquinolin-5-ylsulfonylamino)-2-(phenylmethyl)pentyl]guanidine

Systemtic Name: 2-[5-(isoquinolin-5-ylsulfonylamino)-2-(phenylmethyl)pentyl]guanidine Openeye Name: 2-[2-benzyl-5-(5-isoquinolylsulfonylamino)pentyl]guanidine CAS Name: 2-[5-(5-isoquinolinylsulfonylamino)-2-(phenylmethyl)pentyl]guanidine IUPAC Name: 2-[2-benzyl-5-(isoquinolin-5-ylsulfonylamino)pentyl]guanidine Traditional Name: 2-[2-benzyl-5-(5-isoquinolylsulfonylamino)pentyl]guanidine Formula: C22H27N5O2S MolecularWeight: 425.54708

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27N5O2S/c23-22(24)26-15-18(14-17-6-2-1-3-7-17)8-5-12-27-30(28,29)21-10-4-9-19-16-25-13-11-20(19)21/h1-4,6-7,9-11,13,16,18,27H,5,8,12,14-15H2,(H4,23,24,26)