N-(2,4-dimethylphenyl)-4-[4-methyl-3-(4-methylpiperazin-4-ium-1-yl)sulfonyl-phenyl]phthalazin-1-amine

Systemtic Name: N-(2,4-dimethylphenyl)-4-[4-methyl-3-(4-methylpiperazin-4-ium-1-yl)sulfonyl-phenyl]phthalazin-1-amine Openeye Name: N-(2,4-dimethylphenyl)-4-[4-methyl-3-(4-methylpiperazin-4-ium-1-yl)sulfonyl-phenyl]phthalazin-1-amine CAS Name: N-(2,4-dimethylphenyl)-4-[4-methyl-3-[(4-methyl-1-piperazin-4-iumyl)sulfonyl]phenyl]-1-phthalazinamine IUPAC Name: N-(2,4-dimethylphenyl)-4-[4-methyl-3-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]phthalazin-1-amine Traditional Name: (2,4-dimethylphenyl)-[4-[4-methyl-3-(4-methylpiperazin-4-ium-1-yl)sulfonyl-phenyl]phthalazin-1-yl]amine Formula: C28H32N5O2S+ MolecularWeight: 502.65098

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC2=NN=C(C3=CC=CC=C32)C4=CC(=C(C=C4)C)S(=O)(=O)N5CC[NH+](CC5)C)C

Isomeric SMILES

CC1=CC(=C(C=C1)NC2=NN=C(C3=CC=CC=C32)C4=CC(=C(C=C4)C)S(=O)(=O)N5CC[NH+](CC5)C)C

InChI

InChI=1S/C28H31N5O2S/c1-19-9-12-25(21(3)17-19)29-28-24-8-6-5-7-23(24)27(30-31-28)22-11-10-20(2)26(18-22)36(34,35)33-15-13-32(4)14-16-33/h5-12,17-18H,13-16H2,1-4H3,(H,29,31)/p+1