4-[[4-[4-methyl-3-(4-methylpiperazin-1-yl)sulfonyl-phenyl]phthalazin-1-yl]amino]benzenesulfonamide

Systemtic Name: 4-[[4-[4-methyl-3-(4-methylpiperazin-1-yl)sulfonyl-phenyl]phthalazin-1-yl]amino]benzenesulfonamide Openeye Name: 4-[[4-[4-methyl-3-(4-methylpiperazin-1-yl)sulfonyl-phenyl]phthalazin-1-yl]amino]benzenesulfonamide CAS Name: 4-[[4-[4-methyl-3-[(4-methyl-1-piperazinyl)sulfonyl]phenyl]-1-phthalazinyl]amino]benzenesulfonamide IUPAC Name: 4-[[4-[4-methyl-3-(4-methylpiperazin-1-yl)sulfonylphenyl]phthalazin-1-yl]amino]benzenesulfonamide Traditional Name: 4-[[4-[4-methyl-3-(4-methylpiperazino)sulfonyl-phenyl]phthalazin-1-yl]amino]benzenesulfonamide Formula: C26H28N6O4S2 MolecularWeight: 552.66832

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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)N5CCN(CC5)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)N5CCN(CC5)C

InChI

InChI=1S/C26H28N6O4S2/c1-18-7-8-19(17-24(18)38(35,36)32-15-13-31(2)14-16-32)25-22-5-3-4-6-23(22)26(30-29-25)28-20-9-11-21(12-10-20)37(27,33)34/h3-12,17H,13-16H2,1-2H3,(H,28,30)(H2,27,33,34)