2-[7-[azanyl(2-methylpropanoyl)sulfamoyl]-4-chloranyl-isoquinolin-1-yl]guanidine hydrochloride

Systemtic Name: 2-[7-[azanyl(2-methylpropanoyl)sulfamoyl]-4-chloranyl-isoquinolin-1-yl]guanidine hydrochloride Openeye Name: 2-[7-[amino(2-methylpropanoyl)sulfamoyl]-4-chloro-1-isoquinolyl]guanidine hydrochloride CAS Name: 2-[7-[amino-(2-methyl-1-oxopropyl)sulfamoyl]-4-chloro-1-isoquinolinyl]guanidine hydrochloride IUPAC Name: 2-[7-[amino(2-methylpropanoyl)sulfamoyl]-4-chloroisoquinolin-1-yl]guanidine hydrochloride Traditional Name: 2-[7-[amino(isobutyryl)sulfamoyl]-4-chloro-1-isoquinolyl]guanidine hydrochloride Formula: C14H18Cl2N6O3S MolecularWeight: 421.30212

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)N(N)S(=O)(=O)C1=CC2=C(C=C1)C(=CN=C2N=C(N)N)Cl.Cl

Isomeric SMILES

CC(C)C(=O)N(N)S(=O)(=O)C1=CC2=C(C=C1)C(=CN=C2N=C(N)N)Cl.Cl

InChI

InChI=1S/C14H17ClN6O3S.ClH/c1-7(2)13(22)21(18)25(23,24)8-3-4-9-10(5-8)12(20-14(16)17)19-6-11(9)15;/h3-7H,18H2,1-2H3,(H4,16,17,19,20);1H