1-[4-(phenylsulfonyl)piperazin-1-yl]-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)ethanone

Systemtic Name: 1-[4-(phenylsulfonyl)piperazin-1-yl]-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)ethanone Openeye Name: 1-[4-(benzenesulfonyl)piperazin-1-yl]-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)ethanone CAS Name: 1-[4-(benzenesulfonyl)-1-piperazinyl]-2-[4-(2-pyrimidinyl)-1-piperazin-1-iumyl]ethanone IUPAC Name: 1-[4-(benzenesulfonyl)piperazin-1-yl]-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)ethanone Traditional Name: 1-(4-besylpiperazino)-2-[4-(2-pyrimidyl)piperazin-1-ium-1-yl]ethanone Formula: C20H27N6O3S+ MolecularWeight: 431.53178

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H26N6O3S/c27-19(17-23-9-11-25(12-10-23)20-21-7-4-8-22-20)24-13-15-26(16-14-24)30(28,29)18-5-2-1-3-6-18/h1-8H,9-17H2/p+1