1-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-2-[4-(pyridin-2-ylmethyl)piperazin-1-ium-1-yl]ethanone

Systemtic Name: 1-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-2-[4-(pyridin-2-ylmethyl)piperazin-1-ium-1-yl]ethanone Openeye Name: 1-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-2-[4-(2-pyridylmethyl)piperazin-1-ium-1-yl]ethanone CAS Name: 1-[4-(2-chlorophenyl)sulfonyl-1-piperazinyl]-2-[4-(2-pyridinylmethyl)-1-piperazin-1-iumyl]ethanone IUPAC Name: 1-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-2-[4-(pyridin-2-ylmethyl)piperazin-1-ium-1-yl]ethanone Traditional Name: 1-[4-(2-chlorophenyl)sulfonylpiperazino]-2-[4-(2-pyridylmethyl)piperazin-1-ium-1-yl]ethanone Formula: C22H29ClN5O3S+ MolecularWeight: 479.01536

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3Cl)CC4=CC=CC=N4

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3Cl)CC4=CC=CC=N4

InChI

InChI=1S/C22H28ClN5O3S/c23-20-6-1-2-7-21(20)32(30,31)28-15-13-27(14-16-28)22(29)18-26-11-9-25(10-12-26)17-19-5-3-4-8-24-19/h1-8H,9-18H2/p+1