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

Systemtic Name: ethyl 4-[4-[[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]amino]phthalazin-1-yl]benzoate Openeye Name: ethyl 4-[4-[4-(thiazol-2-ylsulfamoyl)anilino]phthalazin-1-yl]benzoate CAS Name: 4-[4-[4-(2-thiazolylsulfamoyl)anilino]-1-phthalazinyl]benzoic acid ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C26H21N5O4S2 MolecularWeight: 531.60604

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=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

CCOC(=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/C26H21N5O4S2/c1-2-35-25(32)18-9-7-17(8-10-18)23-21-5-3-4-6-22(21)24(30-29-23)28-19-11-13-20(14-12-19)37(33,34)31-26-27-15-16-36-26/h3-16H,2H2,1H3,(H,27,31)(H,28,30)