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

Systemtic Name: N-tert-butyl-2-methyl-5-[4-[(4-sulfamoylphenyl)amino]phthalazin-1-yl]benzenesulfonamide Openeye Name: N-tert-butyl-2-methyl-5-[4-(4-sulfamoylanilino)phthalazin-1-yl]benzenesulfonamide CAS Name: N-tert-butyl-2-methyl-5-[4-(4-sulfamoylanilino)-1-phthalazinyl]benzenesulfonamide IUPAC Name: N-tert-butyl-2-methyl-5-[4-(4-sulfamoylanilino)phthalazin-1-yl]benzenesulfonamide Traditional Name: N-tert-butyl-2-methyl-5-[4-(4-sulfamoylanilino)phthalazin-1-yl]benzenesulfonamide Formula: C25H27N5O4S2 MolecularWeight: 525.64298

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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)C

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)C

InChI

InChI=1S/C25H27N5O4S2/c1-16-9-10-17(15-22(16)36(33,34)30-25(2,3)4)23-20-7-5-6-8-21(20)24(29-28-23)27-18-11-13-19(14-12-18)35(26,31)32/h5-15,30H,1-4H3,(H,27,29)(H2,26,31,32)