4-[[3-bromanyl-6-(quinolin-8-ylsulfonylamino)-1-benzofuran-2-yl]methyl]benzenecarboximidamide hydrochloride

Systemtic Name: 4-[[3-bromanyl-6-(quinolin-8-ylsulfonylamino)-1-benzofuran-2-yl]methyl]benzenecarboximidamide hydrochloride Openeye Name: 4-[[3-bromo-6-(8-quinolylsulfonylamino)benzofuran-2-yl]methyl]benzamidine hydrochloride CAS Name: 4-[[3-bromo-6-(8-quinolinylsulfonylamino)-2-benzofuranyl]methyl]benzenecarboximidamide hydrochloride IUPAC Name: 4-[[3-bromo-6-(quinolin-8-ylsulfonylamino)-1-benzofuran-2-yl]methyl]benzenecarboximidamide hydrochloride Traditional Name: 4-[[3-bromo-6-(8-quinolylsulfonylamino)benzofuran-2-yl]methyl]benzamidine hydrochloride Formula: C25H20BrClN4O3S MolecularWeight: 571.8733

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C(=C1)S(=O)(=O)NC3=CC4=C(C=C3)C(=C(O4)CC5=CC=C(C=C5)C(=N)N)Br)N=CC=C2.Cl

Isomeric SMILES

C1=CC2=C(C(=C1)S(=O)(=O)NC3=CC4=C(C=C3)C(=C(O4)CC5=CC=C(C=C5)C(=N)N)Br)N=CC=C2.Cl

InChI

InChI=1S/C25H19BrN4O3S.ClH/c26-23-19-11-10-18(30-34(31,32)22-5-1-3-16-4-2-12-29-24(16)22)14-20(19)33-21(23)13-15-6-8-17(9-7-15)25(27)28;/h1-12,14,30H,13H2,(H3,27,28);1H