2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]-1-[4-(phenylsulfonyl)piperazin-1-yl]ethanone

Systemtic Name: 2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]-1-[4-(phenylsulfonyl)piperazin-1-yl]ethanone Openeye Name: 1-[4-(benzenesulfonyl)piperazin-1-yl]-2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]ethanone CAS Name: 1-[4-(benzenesulfonyl)-1-piperazinyl]-2-[4-(3-chlorophenyl)-1-piperazin-1-iumyl]ethanone IUPAC Name: 1-[4-(benzenesulfonyl)piperazin-1-yl]-2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]ethanone Traditional Name: 1-(4-besylpiperazino)-2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]ethanone Formula: C22H28ClN4O3S+ MolecularWeight: 464.00072

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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=CC(=CC=C4)Cl

Isomeric SMILES

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

InChI

InChI=1S/C22H27ClN4O3S/c23-19-5-4-6-20(17-19)25-11-9-24(10-12-25)18-22(28)26-13-15-27(16-14-26)31(29,30)21-7-2-1-3-8-21/h1-8,17H,9-16,18H2/p+1