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

Systemtic Name: N-(1H-benzimidazol-2-ylmethyl)-5-[4-[(4-methoxyphenyl)amino]phthalazin-1-yl]-2-methyl-benzenesulfonamide Openeye Name: N-(1H-benzimidazol-2-ylmethyl)-5-[4-(4-methoxyanilino)phthalazin-1-yl]-2-methyl-benzenesulfonamide CAS Name: N-(1H-benzimidazol-2-ylmethyl)-5-[4-(4-methoxyanilino)-1-phthalazinyl]-2-methylbenzenesulfonamide IUPAC Name: N-(1H-benzimidazol-2-ylmethyl)-5-[4-(4-methoxyanilino)phthalazin-1-yl]-2-methylbenzenesulfonamide Traditional Name: N-(1H-benzimidazol-2-ylmethyl)-2-methyl-5-[4-(p-anisidino)phthalazin-1-yl]benzenesulfonamide Formula: C30H26N6O3S MolecularWeight: 550.63084

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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=C(C=C4)OC)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=C(C=C4)OC)S(=O)(=O)NCC5=NC6=CC=CC=C6N5

InChI

InChI=1S/C30H26N6O3S/c1-19-11-12-20(17-27(19)40(37,38)31-18-28-33-25-9-5-6-10-26(25)34-28)29-23-7-3-4-8-24(23)30(36-35-29)32-21-13-15-22(39-2)16-14-21/h3-17,31H,18H2,1-2H3,(H,32,36)(H,33,34)