2-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-ium-1-yl]-1-[4-(4-methoxyphenyl)piperazin-1-yl]ethanone

Systemtic Name: 2-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-ium-1-yl]-1-[4-(4-methoxyphenyl)piperazin-1-yl]ethanone Openeye Name: 2-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-ium-1-yl]-1-[4-(4-methoxyphenyl)piperazin-1-yl]ethanone CAS Name: 2-[4-(4-tert-butylphenyl)sulfonyl-1-piperazin-1-iumyl]-1-[4-(4-methoxyphenyl)-1-piperazinyl]ethanone IUPAC Name: 2-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-ium-1-yl]-1-[4-(4-methoxyphenyl)piperazin-1-yl]ethanone Traditional Name: 2-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-ium-1-yl]-1-[4-(4-methoxyphenyl)piperazino]ethanone Formula: C27H39N4O4S+ MolecularWeight: 515.68796

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC(=O)N3CCN(CC3)C4=CC=C(C=C4)OC

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC(=O)N3CCN(CC3)C4=CC=C(C=C4)OC

InChI

InChI=1S/C27H38N4O4S/c1-27(2,3)22-5-11-25(12-6-22)36(33,34)31-19-13-28(14-20-31)21-26(32)30-17-15-29(16-18-30)23-7-9-24(35-4)10-8-23/h5-12H,13-21H2,1-4H3/p+1