ethyl 4-[4-[(4-sulfamoylphenyl)amino]phthalazin-1-yl]benzoate

Systemtic Name: ethyl 4-[4-[(4-sulfamoylphenyl)amino]phthalazin-1-yl]benzoate Openeye Name: ethyl 4-[4-(4-sulfamoylanilino)phthalazin-1-yl]benzoate CAS Name: 4-[4-(4-sulfamoylanilino)-1-phthalazinyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[4-(4-sulfamoylanilino)phthalazin-1-yl]benzoate Traditional Name: 4-[4-(4-sulfamoylanilino)phthalazin-1-yl]benzoic acid ethyl ester Formula: C23H20N4O4S MolecularWeight: 448.4943

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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)N

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)C2=NN=C(C3=CC=CC=C32)NC4=CC=C(C=C4)S(=O)(=O)N

InChI

InChI=1S/C23H20N4O4S/c1-2-31-23(28)16-9-7-15(8-10-16)21-19-5-3-4-6-20(19)22(27-26-21)25-17-11-13-18(14-12-17)32(24,29)30/h3-14H,2H2,1H3,(H,25,27)(H2,24,29,30)