methyl 4-[[4-[4-methyl-3-(pyridin-2-ylmethylsulfamoyl)phenyl]phthalazin-1-yl]amino]benzoate

Systemtic Name: methyl 4-[[4-[4-methyl-3-(pyridin-2-ylmethylsulfamoyl)phenyl]phthalazin-1-yl]amino]benzoate Openeye Name: methyl 4-[[4-[4-methyl-3-(2-pyridylmethylsulfamoyl)phenyl]phthalazin-1-yl]amino]benzoate CAS Name: 4-[[4-[4-methyl-3-(2-pyridinylmethylsulfamoyl)phenyl]-1-phthalazinyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[4-[4-methyl-3-(pyridin-2-ylmethylsulfamoyl)phenyl]phthalazin-1-yl]amino]benzoate Traditional Name: 4-[[4-[4-methyl-3-(2-pyridylmethylsulfamoyl)phenyl]phthalazin-1-yl]amino]benzoic acid methyl ester Formula: C29H25N5O4S MolecularWeight: 539.6049

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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)NCC5=CC=CC=N5

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)NCC5=CC=CC=N5

InChI

InChI=1S/C29H25N5O4S/c1-19-10-11-21(17-26(19)39(36,37)31-18-23-7-5-6-16-30-23)27-24-8-3-4-9-25(24)28(34-33-27)32-22-14-12-20(13-15-22)29(35)38-2/h3-17,31H,18H2,1-2H3,(H,32,34)