2-[4-[3-(4-ethanoylpiperazin-1-yl)sulfonylphenyl]carbonylpiperazin-1-ium-1-yl]-1-pyrrolidin-1-yl-ethanone

Systemtic Name: 2-[4-[3-(4-ethanoylpiperazin-1-yl)sulfonylphenyl]carbonylpiperazin-1-ium-1-yl]-1-pyrrolidin-1-yl-ethanone Openeye Name: 2-[4-[3-(4-acetylpiperazin-1-yl)sulfonylbenzoyl]piperazin-1-ium-1-yl]-1-pyrrolidin-1-yl-ethanone CAS Name: 2-[4-[[3-[(4-acetyl-1-piperazinyl)sulfonyl]phenyl]-oxomethyl]-1-piperazin-1-iumyl]-1-(1-pyrrolidinyl)ethanone IUPAC Name: 2-[4-[3-(4-acetylpiperazin-1-yl)sulfonylbenzoyl]piperazin-1-ium-1-yl]-1-pyrrolidin-1-ylethanone Traditional Name: 2-[4-[3-(4-acetylpiperazino)sulfonylbenzoyl]piperazin-1-ium-1-yl]-1-pyrrolidino-ethanone Formula: C23H34N5O5S+ MolecularWeight: 492.61156

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)N3CC[NH+](CC3)CC(=O)N4CCCC4

Isomeric SMILES

CC(=O)N1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)N3CC[NH+](CC3)CC(=O)N4CCCC4

InChI

InChI=1S/C23H33N5O5S/c1-19(29)25-13-15-28(16-14-25)34(32,33)21-6-4-5-20(17-21)23(31)27-11-9-24(10-12-27)18-22(30)26-7-2-3-8-26/h4-6,17H,2-3,7-16,18H2,1H3/p+1