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

Systemtic Name: N-(1H-benzimidazol-2-ylmethyl)-5-[4-[(2,4-dimethylphenyl)amino]phthalazin-1-yl]-2-methyl-benzenesulfonamide Openeye Name: N-(1H-benzimidazol-2-ylmethyl)-5-[4-(2,4-dimethylanilino)phthalazin-1-yl]-2-methyl-benzenesulfonamide CAS Name: N-(1H-benzimidazol-2-ylmethyl)-5-[4-(2,4-dimethylanilino)-1-phthalazinyl]-2-methylbenzenesulfonamide IUPAC Name: N-(1H-benzimidazol-2-ylmethyl)-5-[4-(2,4-dimethylanilino)phthalazin-1-yl]-2-methylbenzenesulfonamide Traditional Name: N-(1H-benzimidazol-2-ylmethyl)-5-[4-(2,4-dimethylanilino)phthalazin-1-yl]-2-methyl-benzenesulfonamide Formula: C31H28N6O2S MolecularWeight: 548.65802

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC2=NN=C(C3=CC=CC=C32)C4=CC(=C(C=C4)C)S(=O)(=O)NCC5=NC6=CC=CC=C6N5)C

Isomeric SMILES

CC1=CC(=C(C=C1)NC2=NN=C(C3=CC=CC=C32)C4=CC(=C(C=C4)C)S(=O)(=O)NCC5=NC6=CC=CC=C6N5)C

InChI

InChI=1S/C31H28N6O2S/c1-19-12-15-25(21(3)16-19)35-31-24-9-5-4-8-23(24)30(36-37-31)22-14-13-20(2)28(17-22)40(38,39)32-18-29-33-26-10-6-7-11-27(26)34-29/h4-17,32H,18H2,1-3H3,(H,33,34)(H,35,37)