methyl 4-[4-[[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]amino]phthalazin-1-yl]benzoate

Systemtic Name: methyl 4-[4-[[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]amino]phthalazin-1-yl]benzoate Openeye Name: methyl 4-[4-[4-(thiazol-2-ylsulfamoyl)anilino]phthalazin-1-yl]benzoate CAS Name: 4-[4-[4-(2-thiazolylsulfamoyl)anilino]-1-phthalazinyl]benzoic acid methyl ester IUPAC Name: methyl 4-[4-[4-(1,3-thiazol-2-ylsulfamoyl)anilino]phthalazin-1-yl]benzoate Traditional Name: 4-[4-[4-(thiazol-2-ylsulfamoyl)anilino]phthalazin-1-yl]benzoic acid methyl ester Formula: C25H19N5O4S2 MolecularWeight: 517.57946

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C2=NN=C(C3=CC=CC=C32)NC4=CC=C(C=C4)S(=O)(=O)NC5=NC=CS5

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)C2=NN=C(C3=CC=CC=C32)NC4=CC=C(C=C4)S(=O)(=O)NC5=NC=CS5

InChI

InChI=1S/C25H19N5O4S2/c1-34-24(31)17-8-6-16(7-9-17)22-20-4-2-3-5-21(20)23(29-28-22)27-18-10-12-19(13-11-18)36(32,33)30-25-26-14-15-35-25/h2-15H,1H3,(H,26,30)(H,27,29)