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

Systemtic Name: 4-[4-methyl-3-(4-methylpiperazin-4-ium-1-yl)sulfonyl-phenyl]-N-(3-methylphenyl)phthalazin-1-amine Openeye Name: 4-[4-methyl-3-(4-methylpiperazin-4-ium-1-yl)sulfonyl-phenyl]-N-(m-tolyl)phthalazin-1-amine CAS Name: 4-[4-methyl-3-[(4-methyl-1-piperazin-4-iumyl)sulfonyl]phenyl]-N-(3-methylphenyl)-1-phthalazinamine IUPAC Name: 4-[4-methyl-3-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]-N-(3-methylphenyl)phthalazin-1-amine Traditional Name: [4-[4-methyl-3-(4-methylpiperazin-4-ium-1-yl)sulfonyl-phenyl]phthalazin-1-yl]-(m-tolyl)amine Formula: C27H30N5O2S+ MolecularWeight: 488.6244

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H29N5O2S/c1-19-7-6-8-22(17-19)28-27-24-10-5-4-9-23(24)26(29-30-27)21-12-11-20(2)25(18-21)35(33,34)32-15-13-31(3)14-16-32/h4-12,17-18H,13-16H2,1-3H3,(H,28,30)/p+1