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

Systemtic Name: 2-methyl-N-(2-methyl-1-oxidanyl-propan-2-yl)-5-[4-[(4-sulfamoylphenyl)amino]phthalazin-1-yl]benzenesulfonamide Openeye Name: N-(2-hydroxy-1,1-dimethyl-ethyl)-2-methyl-5-[4-(4-sulfamoylanilino)phthalazin-1-yl]benzenesulfonamide CAS Name: N-(1-hydroxy-2-methylpropan-2-yl)-2-methyl-5-[4-(4-sulfamoylanilino)-1-phthalazinyl]benzenesulfonamide IUPAC Name: N-(1-hydroxy-2-methylpropan-2-yl)-2-methyl-5-[4-(4-sulfamoylanilino)phthalazin-1-yl]benzenesulfonamide Traditional Name: N-(2-hydroxy-1,1-dimethyl-ethyl)-2-methyl-5-[4-(4-sulfamoylanilino)phthalazin-1-yl]benzenesulfonamide Formula: C25H27N5O5S2 MolecularWeight: 541.64238

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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)NC(C)(C)CO

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)NC(C)(C)CO

InChI

InChI=1S/C25H27N5O5S2/c1-16-8-9-17(14-22(16)37(34,35)30-25(2,3)15-31)23-20-6-4-5-7-21(20)24(29-28-23)27-18-10-12-19(13-11-18)36(26,32)33/h4-14,30-31H,15H2,1-3H3,(H,27,29)(H2,26,32,33)