2-(azepan-1-ium-1-yl)-1-[4-(4-ethanoylphenyl)sulfonylpiperazin-1-yl]ethanone

Systemtic Name: 2-(azepan-1-ium-1-yl)-1-[4-(4-ethanoylphenyl)sulfonylpiperazin-1-yl]ethanone Openeye Name: 1-[4-(4-acetylphenyl)sulfonylpiperazin-1-yl]-2-(azepan-1-ium-1-yl)ethanone CAS Name: 1-[4-(4-acetylphenyl)sulfonyl-1-piperazinyl]-2-(1-azepan-1-iumyl)ethanone IUPAC Name: 1-[4-(4-acetylphenyl)sulfonylpiperazin-1-yl]-2-(azepan-1-ium-1-yl)ethanone Traditional Name: 1-[4-(4-acetylphenyl)sulfonylpiperazino]-2-(azepan-1-ium-1-yl)ethanone Formula: C20H30N3O4S+ MolecularWeight: 408.5349

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C[NH+]3CCCCCC3

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C[NH+]3CCCCCC3

InChI

InChI=1S/C20H29N3O4S/c1-17(24)18-6-8-19(9-7-18)28(26,27)23-14-12-22(13-15-23)20(25)16-21-10-4-2-3-5-11-21/h6-9H,2-5,10-16H2,1H3/p+1