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

Systemtic Name: methyl 4-[[4-[3-(tert-butylsulfamoyl)-4-methyl-phenyl]phthalazin-1-yl]amino]benzoate Openeye Name: methyl 4-[[4-[3-(tert-butylsulfamoyl)-4-methyl-phenyl]phthalazin-1-yl]amino]benzoate CAS Name: 4-[[4-[3-(tert-butylsulfamoyl)-4-methylphenyl]-1-phthalazinyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[4-[3-(tert-butylsulfamoyl)-4-methylphenyl]phthalazin-1-yl]amino]benzoate Traditional Name: 4-[[4-[3-(tert-butylsulfamoyl)-4-methyl-phenyl]phthalazin-1-yl]amino]benzoic acid methyl ester Formula: C27H28N4O4S MolecularWeight: 504.60062

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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)NC(C)(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)NC(C)(C)C

InChI

InChI=1S/C27H28N4O4S/c1-17-10-11-19(16-23(17)36(33,34)31-27(2,3)4)24-21-8-6-7-9-22(21)25(30-29-24)28-20-14-12-18(13-15-20)26(32)35-5/h6-16,31H,1-5H3,(H,28,30)