5-[4-(1H-benzimidazol-2-ylmethylamino)phthalazin-1-yl]-N,2-dimethyl-benzenesulfonamide

Systemtic Name: 5-[4-(1H-benzimidazol-2-ylmethylamino)phthalazin-1-yl]-N,2-dimethyl-benzenesulfonamide Openeye Name: 5-[4-(1H-benzimidazol-2-ylmethylamino)phthalazin-1-yl]-N,2-dimethyl-benzenesulfonamide CAS Name: 5-[4-(1H-benzimidazol-2-ylmethylamino)-1-phthalazinyl]-N,2-dimethylbenzenesulfonamide IUPAC Name: 5-[4-(1H-benzimidazol-2-ylmethylamino)phthalazin-1-yl]-N,2-dimethylbenzenesulfonamide Traditional Name: 5-[4-(1H-benzimidazol-2-ylmethylamino)phthalazin-1-yl]-N,2-dimethyl-benzenesulfonamide Formula: C24H22N6O2S MolecularWeight: 458.53548

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=NN=C(C3=CC=CC=C32)NCC4=NC5=CC=CC=C5N4)S(=O)(=O)NC

Isomeric SMILES

CC1=C(C=C(C=C1)C2=NN=C(C3=CC=CC=C32)NCC4=NC5=CC=CC=C5N4)S(=O)(=O)NC

InChI

InChI=1S/C24H22N6O2S/c1-15-11-12-16(13-21(15)33(31,32)25-2)23-17-7-3-4-8-18(17)24(30-29-23)26-14-22-27-19-9-5-6-10-20(19)28-22/h3-13,25H,14H2,1-2H3,(H,26,30)(H,27,28)