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

Systemtic Name: 4-[4-methyl-3-(4-methylpiperazin-4-ium-1-yl)sulfonyl-phenyl]-N-phenyl-phthalazin-1-amine Openeye Name: 4-[4-methyl-3-(4-methylpiperazin-4-ium-1-yl)sulfonyl-phenyl]-N-phenyl-phthalazin-1-amine CAS Name: 4-[4-methyl-3-[(4-methyl-1-piperazin-4-iumyl)sulfonyl]phenyl]-N-phenyl-1-phthalazinamine IUPAC Name: 4-[4-methyl-3-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]-N-phenylphthalazin-1-amine Traditional Name: [4-[4-methyl-3-(4-methylpiperazin-4-ium-1-yl)sulfonyl-phenyl]phthalazin-1-yl]-phenyl-amine Formula: C26H28N5O2S+ MolecularWeight: 474.59782

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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=CC=C4)S(=O)(=O)N5CC[NH+](CC5)C

Isomeric SMILES

CC1=C(C=C(C=C1)C2=NN=C(C3=CC=CC=C32)NC4=CC=CC=C4)S(=O)(=O)N5CC[NH+](CC5)C

InChI

InChI=1S/C26H27N5O2S/c1-19-12-13-20(18-24(19)34(32,33)31-16-14-30(2)15-17-31)25-22-10-6-7-11-23(22)26(29-28-25)27-21-8-4-3-5-9-21/h3-13,18H,14-17H2,1-2H3,(H,27,29)/p+1