2-[1-[[2-(1-azanylisoquinolin-7-yl)-5-chloranyl-1H-pyrrol-3-yl]carbonyl]-2-methyl-benzimidazol-5-yl]benzenesulfonamide

Systemtic Name: 2-[1-[[2-(1-azanylisoquinolin-7-yl)-5-chloranyl-1H-pyrrol-3-yl]carbonyl]-2-methyl-benzimidazol-5-yl]benzenesulfonamide Openeye Name: 2-[1-[2-(1-amino-7-isoquinolyl)-5-chloro-1H-pyrrole-3-carbonyl]-2-methyl-benzimidazol-5-yl]benzenesulfonamide CAS Name: 2-[1-[[2-(1-amino-7-isoquinolinyl)-5-chloro-1H-pyrrol-3-yl]-oxomethyl]-2-methyl-5-benzimidazolyl]benzenesulfonamide IUPAC Name: 2-[1-[2-(1-aminoisoquinolin-7-yl)-5-chloro-1H-pyrrole-3-carbonyl]-2-methylbenzimidazol-5-yl]benzenesulfonamide Traditional Name: 2-[1-[2-(1-amino-7-isoquinolyl)-5-chloro-1H-pyrrole-3-carbonyl]-2-methyl-benzimidazol-5-yl]benzenesulfonamide Formula: C28H21ClN6O3S MolecularWeight: 557.02274

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(N1C(=O)C3=C(NC(=C3)Cl)C4=CC5=C(C=C4)C=CN=C5N)C=CC(=C2)C6=CC=CC=C6S(=O)(=O)N

Isomeric SMILES

CC1=NC2=C(N1C(=O)C3=C(NC(=C3)Cl)C4=CC5=C(C=C4)C=CN=C5N)C=CC(=C2)C6=CC=CC=C6S(=O)(=O)N

InChI

InChI=1S/C28H21ClN6O3S/c1-15-33-22-13-17(19-4-2-3-5-24(19)39(31,37)38)8-9-23(22)35(15)28(36)21-14-25(29)34-26(21)18-7-6-16-10-11-32-27(30)20(16)12-18/h2-14,34H,1H3,(H2,30,32)(H2,31,37,38)