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

Systemtic Name: methyl 4-[4-[(4-sulfamoylphenyl)amino]phthalazin-1-yl]benzoate Openeye Name: methyl 4-[4-(4-sulfamoylanilino)phthalazin-1-yl]benzoate CAS Name: 4-[4-(4-sulfamoylanilino)-1-phthalazinyl]benzoic acid methyl ester IUPAC Name: methyl 4-[4-(4-sulfamoylanilino)phthalazin-1-yl]benzoate Traditional Name: 4-[4-(4-sulfamoylanilino)phthalazin-1-yl]benzoic acid methyl ester Formula: C22H18N4O4S MolecularWeight: 434.46772

Click to see the large picture

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)N

Isomeric SMILES

COC(=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/C22H18N4O4S/c1-30-22(27)15-8-6-14(7-9-15)20-18-4-2-3-5-19(18)21(26-25-20)24-16-10-12-17(13-11-16)31(23,28)29/h2-13H,1H3,(H,24,26)(H2,23,28,29)