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

Systemtic Name: N-(1H-benzimidazol-2-ylmethyl)-2-methyl-5-[4-[(4-methylphenyl)amino]phthalazin-1-yl]benzenesulfonamide Openeye Name: N-(1H-benzimidazol-2-ylmethyl)-2-methyl-5-[4-(4-methylanilino)phthalazin-1-yl]benzenesulfonamide CAS Name: N-(1H-benzimidazol-2-ylmethyl)-2-methyl-5-[4-(4-methylanilino)-1-phthalazinyl]benzenesulfonamide IUPAC Name: N-(1H-benzimidazol-2-ylmethyl)-2-methyl-5-[4-(4-methylanilino)phthalazin-1-yl]benzenesulfonamide Traditional Name: N-(1H-benzimidazol-2-ylmethyl)-2-methyl-5-[4-(p-toluidino)phthalazin-1-yl]benzenesulfonamide Formula: C30H26N6O2S MolecularWeight: 534.63144

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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

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

InChI

InChI=1S/C30H26N6O2S/c1-19-11-15-22(16-12-19)32-30-24-8-4-3-7-23(24)29(35-36-30)21-14-13-20(2)27(17-21)39(37,38)31-18-28-33-25-9-5-6-10-26(25)34-28/h3-17,31H,18H2,1-2H3,(H,32,36)(H,33,34)