N-(2-methylphenyl)-4-[[4-(4-methyl-3-sulfamoyl-phenyl)phthalazin-1-yl]amino]benzamide

Systemtic Name: N-(2-methylphenyl)-4-[[4-(4-methyl-3-sulfamoyl-phenyl)phthalazin-1-yl]amino]benzamide Openeye Name: 4-[[4-(4-methyl-3-sulfamoyl-phenyl)phthalazin-1-yl]amino]-N-(o-tolyl)benzamide CAS Name: N-(2-methylphenyl)-4-[[4-(4-methyl-3-sulfamoylphenyl)-1-phthalazinyl]amino]benzamide IUPAC Name: N-(2-methylphenyl)-4-[[4-(4-methyl-3-sulfamoylphenyl)phthalazin-1-yl]amino]benzamide Traditional Name: 4-[[4-(4-methyl-3-sulfamoyl-phenyl)phthalazin-1-yl]amino]-N-(o-tolyl)benzamide Formula: C29H25N5O3S MolecularWeight: 523.6055

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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)C(=O)NC5=CC=CC=C5C)S(=O)(=O)N

Isomeric SMILES

CC1=C(C=C(C=C1)C2=NN=C(C3=CC=CC=C32)NC4=CC=C(C=C4)C(=O)NC5=CC=CC=C5C)S(=O)(=O)N

InChI

InChI=1S/C29H25N5O3S/c1-18-7-3-6-10-25(18)32-29(35)20-13-15-22(16-14-20)31-28-24-9-5-4-8-23(24)27(33-34-28)21-12-11-19(2)26(17-21)38(30,36)37/h3-17H,1-2H3,(H,31,34)(H,32,35)(H2,30,36,37)