2-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-ium-1-yl]-1-[4-(phenylsulfonyl)piperazin-1-yl]ethanone

Systemtic Name: 2-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-ium-1-yl]-1-[4-(phenylsulfonyl)piperazin-1-yl]ethanone Openeye Name: 1-[4-(benzenesulfonyl)piperazin-1-yl]-2-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-ium-1-yl]ethanone CAS Name: 1-[4-(benzenesulfonyl)-1-piperazinyl]-2-[4-(1,3-benzothiazol-2-ylmethyl)-1-piperazin-1-iumyl]ethanone IUPAC Name: 1-[4-(benzenesulfonyl)piperazin-1-yl]-2-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-ium-1-yl]ethanone Traditional Name: 2-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-ium-1-yl]-1-(4-besylpiperazino)ethanone Formula: C24H30N5O3S2+ MolecularWeight: 500.6567

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3)CC4=NC5=CC=CC=C5S4

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3)CC4=NC5=CC=CC=C5S4

InChI

InChI=1S/C24H29N5O3S2/c30-24(28-14-16-29(17-15-28)34(31,32)20-6-2-1-3-7-20)19-27-12-10-26(11-13-27)18-23-25-21-8-4-5-9-22(21)33-23/h1-9H,10-19H2/p+1