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

Systemtic Name: N-(4-methoxyphenyl)-4-[4-methyl-3-(4-methylpiperazin-4-ium-1-yl)sulfonyl-phenyl]phthalazin-1-amine Openeye Name: N-(4-methoxyphenyl)-4-[4-methyl-3-(4-methylpiperazin-4-ium-1-yl)sulfonyl-phenyl]phthalazin-1-amine CAS Name: N-(4-methoxyphenyl)-4-[4-methyl-3-[(4-methyl-1-piperazin-4-iumyl)sulfonyl]phenyl]-1-phthalazinamine IUPAC Name: N-(4-methoxyphenyl)-4-[4-methyl-3-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]phthalazin-1-amine Traditional Name: (4-methoxyphenyl)-[4-[4-methyl-3-(4-methylpiperazin-4-ium-1-yl)sulfonyl-phenyl]phthalazin-1-yl]amine Formula: C27H30N5O3S+ MolecularWeight: 504.6238

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

InChI

InChI=1S/C27H29N5O3S/c1-19-8-9-20(18-25(19)36(33,34)32-16-14-31(2)15-17-32)26-23-6-4-5-7-24(23)27(30-29-26)28-21-10-12-22(35-3)13-11-21/h4-13,18H,14-17H2,1-3H3,(H,28,30)/p+1