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

Systemtic Name: 5-[4-(1H-benzimidazol-2-ylmethylamino)phthalazin-1-yl]-N-(4-hydroxyphenyl)-2-methyl-benzenesulfonamide Openeye Name: 5-[4-(1H-benzimidazol-2-ylmethylamino)phthalazin-1-yl]-N-(4-hydroxyphenyl)-2-methyl-benzenesulfonamide CAS Name: 5-[4-(1H-benzimidazol-2-ylmethylamino)-1-phthalazinyl]-N-(4-hydroxyphenyl)-2-methylbenzenesulfonamide IUPAC Name: 5-[4-(1H-benzimidazol-2-ylmethylamino)phthalazin-1-yl]-N-(4-hydroxyphenyl)-2-methylbenzenesulfonamide Traditional Name: 5-[4-(1H-benzimidazol-2-ylmethylamino)phthalazin-1-yl]-N-(4-hydroxyphenyl)-2-methyl-benzenesulfonamide Formula: C29H24N6O3S MolecularWeight: 536.60426

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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)NC6=CC=C(C=C6)O

Isomeric SMILES

CC1=C(C=C(C=C1)C2=NN=C(C3=CC=CC=C32)NCC4=NC5=CC=CC=C5N4)S(=O)(=O)NC6=CC=C(C=C6)O

InChI

InChI=1S/C29H24N6O3S/c1-18-10-11-19(16-26(18)39(37,38)35-20-12-14-21(36)15-13-20)28-22-6-2-3-7-23(22)29(34-33-28)30-17-27-31-24-8-4-5-9-25(24)32-27/h2-16,35-36H,17H2,1H3,(H,30,34)(H,31,32)