2-[2-[4-(4-ethanoylphenyl)sulfonylpiperazin-1-ium-1-yl]ethyl]-6-(4-methoxyphenyl)pyridazin-3-one

Systemtic Name: 2-[2-[4-(4-ethanoylphenyl)sulfonylpiperazin-1-ium-1-yl]ethyl]-6-(4-methoxyphenyl)pyridazin-3-one Openeye Name: 2-[2-[4-(4-acetylphenyl)sulfonylpiperazin-1-ium-1-yl]ethyl]-6-(4-methoxyphenyl)pyridazin-3-one CAS Name: 2-[2-[4-(4-acetylphenyl)sulfonyl-1-piperazin-1-iumyl]ethyl]-6-(4-methoxyphenyl)-3-pyridazinone IUPAC Name: 2-[2-[4-(4-acetylphenyl)sulfonylpiperazin-1-ium-1-yl]ethyl]-6-(4-methoxyphenyl)pyridazin-3-one Traditional Name: 2-[2-[4-(4-acetylphenyl)sulfonylpiperazin-1-ium-1-yl]ethyl]-6-(4-methoxyphenyl)pyridazin-3-one Formula: C25H29N4O5S+ MolecularWeight: 497.58656

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CCN3C(=O)C=CC(=N3)C4=CC=C(C=C4)OC

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CCN3C(=O)C=CC(=N3)C4=CC=C(C=C4)OC

InChI

InChI=1S/C25H28N4O5S/c1-19(30)20-5-9-23(10-6-20)35(32,33)28-16-13-27(14-17-28)15-18-29-25(31)12-11-24(26-29)21-3-7-22(34-2)8-4-21/h3-12H,13-18H2,1-2H3/p+1