N-(1H-benzimidazol-2-ylmethyl)-5-[4-[(3-hydroxyphenyl)amino]phthalazin-1-yl]-2-methyl-benzenesulfonamide

Systemtic Name: N-(1H-benzimidazol-2-ylmethyl)-5-[4-[(3-hydroxyphenyl)amino]phthalazin-1-yl]-2-methyl-benzenesulfonamide Openeye Name: N-(1H-benzimidazol-2-ylmethyl)-5-[4-(3-hydroxyanilino)phthalazin-1-yl]-2-methyl-benzenesulfonamide CAS Name: N-(1H-benzimidazol-2-ylmethyl)-5-[4-(3-hydroxyanilino)-1-phthalazinyl]-2-methylbenzenesulfonamide IUPAC Name: N-(1H-benzimidazol-2-ylmethyl)-5-[4-(3-hydroxyanilino)phthalazin-1-yl]-2-methylbenzenesulfonamide Traditional Name: N-(1H-benzimidazol-2-ylmethyl)-5-[4-(3-hydroxyanilino)phthalazin-1-yl]-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)NC4=CC(=CC=C4)O)S(=O)(=O)NCC5=NC6=CC=CC=C6N5

Isomeric SMILES

CC1=C(C=C(C=C1)C2=NN=C(C3=CC=CC=C32)NC4=CC(=CC=C4)O)S(=O)(=O)NCC5=NC6=CC=CC=C6N5

InChI

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