1-[4-(phenylmethyl)sulfonylpiperazin-1-yl]-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)ethanone

Systemtic Name: 1-[4-(phenylmethyl)sulfonylpiperazin-1-yl]-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)ethanone Openeye Name: 1-(4-benzylsulfonylpiperazin-1-yl)-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)ethanone CAS Name: 1-[4-(phenylmethyl)sulfonyl-1-piperazinyl]-2-[4-(2-pyrimidinyl)-1-piperazin-1-iumyl]ethanone IUPAC Name: 1-(4-benzylsulfonylpiperazin-1-yl)-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)ethanone Traditional Name: 1-(4-benzylsulfonylpiperazino)-2-[4-(2-pyrimidyl)piperazin-1-ium-1-yl]ethanone Formula: C21H29N6O3S+ MolecularWeight: 445.55836

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)N2CCN(CC2)S(=O)(=O)CC3=CC=CC=C3)C4=NC=CC=N4

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)N2CCN(CC2)S(=O)(=O)CC3=CC=CC=C3)C4=NC=CC=N4

InChI

InChI=1S/C21H28N6O3S/c28-20(17-24-9-11-26(12-10-24)21-22-7-4-8-23-21)25-13-15-27(16-14-25)31(29,30)18-19-5-2-1-3-6-19/h1-8H,9-18H2/p+1