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

Systemtic Name: methyl 4-[[4-[3-(dimethylsulfamoyl)-4-methyl-phenyl]phthalazin-1-yl]amino]benzoate Openeye Name: methyl 4-[[4-[3-(dimethylsulfamoyl)-4-methyl-phenyl]phthalazin-1-yl]amino]benzoate CAS Name: 4-[[4-[3-(dimethylsulfamoyl)-4-methylphenyl]-1-phthalazinyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[4-[3-(dimethylsulfamoyl)-4-methylphenyl]phthalazin-1-yl]amino]benzoate Traditional Name: 4-[[4-[3-(dimethylsulfamoyl)-4-methyl-phenyl]phthalazin-1-yl]amino]benzoic acid methyl ester Formula: C25H24N4O4S MolecularWeight: 476.54746

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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(C)C

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(C)C

InChI

InChI=1S/C25H24N4O4S/c1-16-9-10-18(15-22(16)34(31,32)29(2)3)23-20-7-5-6-8-21(20)24(28-27-23)26-19-13-11-17(12-14-19)25(30)33-4/h5-15H,1-4H3,(H,26,28)