4-[[5-(isoquinolin-5-ylsulfonylamino)-1-methyl-benzimidazol-2-yl]methyl]benzenecarboximidamide hydrochloride

Systemtic Name: 4-[[5-(isoquinolin-5-ylsulfonylamino)-1-methyl-benzimidazol-2-yl]methyl]benzenecarboximidamide hydrochloride Openeye Name: 4-[[5-(5-isoquinolylsulfonylamino)-1-methyl-benzimidazol-2-yl]methyl]benzamidine hydrochloride CAS Name: 4-[[5-(5-isoquinolinylsulfonylamino)-1-methyl-2-benzimidazolyl]methyl]benzenecarboximidamide hydrochloride IUPAC Name: 4-[[5-(isoquinolin-5-ylsulfonylamino)-1-methylbenzimidazol-2-yl]methyl]benzenecarboximidamide hydrochloride Traditional Name: 4-[[5-(5-isoquinolylsulfonylamino)-1-methyl-benzimidazol-2-yl]methyl]benzamidine hydrochloride Formula: C25H23ClN6O2S MolecularWeight: 507.00712

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2)NS(=O)(=O)C3=CC=CC4=C3C=CN=C4)N=C1CC5=CC=C(C=C5)C(=N)N.Cl

Isomeric SMILES

CN1C2=C(C=C(C=C2)NS(=O)(=O)C3=CC=CC4=C3C=CN=C4)N=C1CC5=CC=C(C=C5)C(=N)N.Cl

InChI

InChI=1S/C25H22N6O2S.ClH/c1-31-22-10-9-19(30-34(32,33)23-4-2-3-18-15-28-12-11-20(18)23)14-21(22)29-24(31)13-16-5-7-17(8-6-16)25(26)27;/h2-12,14-15,30H,13H2,1H3,(H3,26,27);1H