N-(2,5-dimethylphenyl)-4-[[4-(4-methyl-3-sulfamoyl-phenyl)phthalazin-1-yl]amino]benzamide

Systemtic Name: N-(2,5-dimethylphenyl)-4-[[4-(4-methyl-3-sulfamoyl-phenyl)phthalazin-1-yl]amino]benzamide Openeye Name: N-(2,5-dimethylphenyl)-4-[[4-(4-methyl-3-sulfamoyl-phenyl)phthalazin-1-yl]amino]benzamide CAS Name: N-(2,5-dimethylphenyl)-4-[[4-(4-methyl-3-sulfamoylphenyl)-1-phthalazinyl]amino]benzamide IUPAC Name: N-(2,5-dimethylphenyl)-4-[[4-(4-methyl-3-sulfamoylphenyl)phthalazin-1-yl]amino]benzamide Traditional Name: N-(2,5-dimethylphenyl)-4-[[4-(4-methyl-3-sulfamoyl-phenyl)phthalazin-1-yl]amino]benzamide Formula: C30H27N5O3S MolecularWeight: 537.63208

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)NC(=O)C2=CC=C(C=C2)NC3=NN=C(C4=CC=CC=C43)C5=CC(=C(C=C5)C)S(=O)(=O)N

Isomeric SMILES

CC1=CC(=C(C=C1)C)NC(=O)C2=CC=C(C=C2)NC3=NN=C(C4=CC=CC=C43)C5=CC(=C(C=C5)C)S(=O)(=O)N

InChI

InChI=1S/C30H27N5O3S/c1-18-8-9-19(2)26(16-18)33-30(36)21-12-14-23(15-13-21)32-29-25-7-5-4-6-24(25)28(34-35-29)22-11-10-20(3)27(17-22)39(31,37)38/h4-17H,1-3H3,(H,32,35)(H,33,36)(H2,31,37,38)