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

Systemtic Name: methyl 4-[[4-(4-methyl-3-sulfamoyl-phenyl)phthalazin-1-yl]amino]benzoate Openeye Name: methyl 4-[[4-(4-methyl-3-sulfamoyl-phenyl)phthalazin-1-yl]amino]benzoate CAS Name: 4-[[4-(4-methyl-3-sulfamoylphenyl)-1-phthalazinyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[4-(4-methyl-3-sulfamoylphenyl)phthalazin-1-yl]amino]benzoate Traditional Name: 4-[[4-(4-methyl-3-sulfamoyl-phenyl)phthalazin-1-yl]amino]benzoic acid methyl ester Formula: C23H20N4O4S MolecularWeight: 448.4943

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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)OC)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)OC)S(=O)(=O)N

InChI

InChI=1S/C23H20N4O4S/c1-14-7-8-16(13-20(14)32(24,29)30)21-18-5-3-4-6-19(18)22(27-26-21)25-17-11-9-15(10-12-17)23(28)31-2/h3-13H,1-2H3,(H,25,27)(H2,24,29,30)