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

Systemtic Name: N-(3,4-dichlorophenyl)-4-[4-methyl-3-(4-methylpiperazin-1-yl)sulfonyl-phenyl]phthalazin-1-amine Openeye Name: N-(3,4-dichlorophenyl)-4-[4-methyl-3-(4-methylpiperazin-1-yl)sulfonyl-phenyl]phthalazin-1-amine CAS Name: N-(3,4-dichlorophenyl)-4-[4-methyl-3-[(4-methyl-1-piperazinyl)sulfonyl]phenyl]-1-phthalazinamine IUPAC Name: N-(3,4-dichlorophenyl)-4-[4-methyl-3-(4-methylpiperazin-1-yl)sulfonylphenyl]phthalazin-1-amine Traditional Name: (3,4-dichlorophenyl)-[4-[4-methyl-3-(4-methylpiperazino)sulfonyl-phenyl]phthalazin-1-yl]amine Formula: C26H25Cl2N5O2S MolecularWeight: 542.48

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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)Cl)Cl)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)Cl)Cl)S(=O)(=O)N5CCN(CC5)C

InChI

InChI=1S/C26H25Cl2N5O2S/c1-17-7-8-18(15-24(17)36(34,35)33-13-11-32(2)12-14-33)25-20-5-3-4-6-21(20)26(31-30-25)29-19-9-10-22(27)23(28)16-19/h3-10,15-16H,11-14H2,1-2H3,(H,29,31)