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

Systemtic Name: N-methyl-4-[[4-(4-methyl-3-sulfamoyl-phenyl)phthalazin-1-yl]amino]benzamide Openeye Name: N-methyl-4-[[4-(4-methyl-3-sulfamoyl-phenyl)phthalazin-1-yl]amino]benzamide CAS Name: N-methyl-4-[[4-(4-methyl-3-sulfamoylphenyl)-1-phthalazinyl]amino]benzamide IUPAC Name: N-methyl-4-[[4-(4-methyl-3-sulfamoylphenyl)phthalazin-1-yl]amino]benzamide Traditional Name: N-methyl-4-[[4-(4-methyl-3-sulfamoyl-phenyl)phthalazin-1-yl]amino]benzamide Formula: C23H21N5O3S MolecularWeight: 447.50954

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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)NC)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)NC)S(=O)(=O)N

InChI

InChI=1S/C23H21N5O3S/c1-14-7-8-16(13-20(14)32(24,30)31)21-18-5-3-4-6-19(18)22(28-27-21)26-17-11-9-15(10-12-17)23(29)25-2/h3-13H,1-2H3,(H,25,29)(H,26,28)(H2,24,30,31)