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

Systemtic Name: methyl 4-[[4-[3-(1H-benzimidazol-2-ylmethylsulfamoyl)-4-methyl-phenyl]phthalazin-1-yl]amino]benzoate Openeye Name: methyl 4-[[4-[3-(1H-benzimidazol-2-ylmethylsulfamoyl)-4-methyl-phenyl]phthalazin-1-yl]amino]benzoate CAS Name: 4-[[4-[3-(1H-benzimidazol-2-ylmethylsulfamoyl)-4-methylphenyl]-1-phthalazinyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[4-[3-(1H-benzimidazol-2-ylmethylsulfamoyl)-4-methylphenyl]phthalazin-1-yl]amino]benzoate Traditional Name: 4-[[4-[3-(1H-benzimidazol-2-ylmethylsulfamoyl)-4-methyl-phenyl]phthalazin-1-yl]amino]benzoic acid methyl ester Formula: C31H26N6O4S MolecularWeight: 578.64094

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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=NC6=CC=CC=C6N5

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=NC6=CC=CC=C6N5

InChI

InChI=1S/C31H26N6O4S/c1-19-11-12-21(17-27(19)42(39,40)32-18-28-34-25-9-5-6-10-26(25)35-28)29-23-7-3-4-8-24(23)30(37-36-29)33-22-15-13-20(14-16-22)31(38)41-2/h3-17,32H,18H2,1-2H3,(H,33,37)(H,34,35)