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

Systemtic Name: N-(3-chlorophenyl)-4-[4-methyl-3-(4-methylpiperazin-4-ium-1-yl)sulfonyl-phenyl]phthalazin-1-amine Openeye Name: N-(3-chlorophenyl)-4-[4-methyl-3-(4-methylpiperazin-4-ium-1-yl)sulfonyl-phenyl]phthalazin-1-amine CAS Name: N-(3-chlorophenyl)-4-[4-methyl-3-[(4-methyl-1-piperazin-4-iumyl)sulfonyl]phenyl]-1-phthalazinamine IUPAC Name: N-(3-chlorophenyl)-4-[4-methyl-3-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]phthalazin-1-amine Traditional Name: (3-chlorophenyl)-[4-[4-methyl-3-(4-methylpiperazin-4-ium-1-yl)sulfonyl-phenyl]phthalazin-1-yl]amine Formula: C26H27ClN5O2S+ MolecularWeight: 509.04288

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

InChI

InChI=1S/C26H26ClN5O2S/c1-18-10-11-19(16-24(18)35(33,34)32-14-12-31(2)13-15-32)25-22-8-3-4-9-23(22)26(30-29-25)28-21-7-5-6-20(27)17-21/h3-11,16-17H,12-15H2,1-2H3,(H,28,30)/p+1