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

Systemtic Name: N-(4-bromophenyl)-4-[4-methyl-3-(4-methylpiperazin-4-ium-1-yl)sulfonyl-phenyl]phthalazin-1-amine Openeye Name: N-(4-bromophenyl)-4-[4-methyl-3-(4-methylpiperazin-4-ium-1-yl)sulfonyl-phenyl]phthalazin-1-amine CAS Name: N-(4-bromophenyl)-4-[4-methyl-3-[(4-methyl-1-piperazin-4-iumyl)sulfonyl]phenyl]-1-phthalazinamine IUPAC Name: N-(4-bromophenyl)-4-[4-methyl-3-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]phthalazin-1-amine Traditional Name: (4-bromophenyl)-[4-[4-methyl-3-(4-methylpiperazin-4-ium-1-yl)sulfonyl-phenyl]phthalazin-1-yl]amine Formula: C26H27BrN5O2S+ MolecularWeight: 553.49388

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

Isomeric SMILES

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

InChI

InChI=1S/C26H26BrN5O2S/c1-18-7-8-19(17-24(18)35(33,34)32-15-13-31(2)14-16-32)25-22-5-3-4-6-23(22)26(30-29-25)28-21-11-9-20(27)10-12-21/h3-12,17H,13-16H2,1-2H3,(H,28,30)/p+1