2-methyl-N-(pyridin-2-ylmethyl)-5-[4-[(4-sulfamoylphenyl)amino]phthalazin-1-yl]benzenesulfonamide

Systemtic Name: 2-methyl-N-(pyridin-2-ylmethyl)-5-[4-[(4-sulfamoylphenyl)amino]phthalazin-1-yl]benzenesulfonamide Openeye Name: 2-methyl-N-(2-pyridylmethyl)-5-[4-(4-sulfamoylanilino)phthalazin-1-yl]benzenesulfonamide CAS Name: 2-methyl-N-(2-pyridinylmethyl)-5-[4-(4-sulfamoylanilino)-1-phthalazinyl]benzenesulfonamide IUPAC Name: 2-methyl-N-(pyridin-2-ylmethyl)-5-[4-(4-sulfamoylanilino)phthalazin-1-yl]benzenesulfonamide Traditional Name: 2-methyl-N-(2-pyridylmethyl)-5-[4-(4-sulfamoylanilino)phthalazin-1-yl]benzenesulfonamide Formula: C27H24N6O4S2 MolecularWeight: 560.64726

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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)S(=O)(=O)N)S(=O)(=O)NCC5=CC=CC=N5

Isomeric SMILES

CC1=C(C=C(C=C1)C2=NN=C(C3=CC=CC=C32)NC4=CC=C(C=C4)S(=O)(=O)N)S(=O)(=O)NCC5=CC=CC=N5

InChI

InChI=1S/C27H24N6O4S2/c1-18-9-10-19(16-25(18)39(36,37)30-17-21-6-4-5-15-29-21)26-23-7-2-3-8-24(23)27(33-32-26)31-20-11-13-22(14-12-20)38(28,34)35/h2-16,30H,17H2,1H3,(H,31,33)(H2,28,34,35)