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

Systemtic Name: methyl 4-[[4-[3-(2-hydroxyethylsulfamoyl)-4-methyl-phenyl]phthalazin-1-yl]amino]benzoate Openeye Name: methyl 4-[[4-[3-(2-hydroxyethylsulfamoyl)-4-methyl-phenyl]phthalazin-1-yl]amino]benzoate CAS Name: 4-[[4-[3-(2-hydroxyethylsulfamoyl)-4-methylphenyl]-1-phthalazinyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[4-[3-(2-hydroxyethylsulfamoyl)-4-methylphenyl]phthalazin-1-yl]amino]benzoate Traditional Name: 4-[[4-[3-(2-hydroxyethylsulfamoyl)-4-methyl-phenyl]phthalazin-1-yl]amino]benzoic acid methyl ester Formula: C25H24N4O5S MolecularWeight: 492.54686

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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)NCCO

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)NCCO

InChI

InChI=1S/C25H24N4O5S/c1-16-7-8-18(15-22(16)35(32,33)26-13-14-30)23-20-5-3-4-6-21(20)24(29-28-23)27-19-11-9-17(10-12-19)25(31)34-2/h3-12,15,26,30H,13-14H2,1-2H3,(H,27,29)