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

Systemtic Name: 1-(azepan-1-yl)-2-[4-(4-ethanoylphenyl)sulfonylpiperazin-1-ium-1-yl]ethanone Openeye Name: 2-[4-(4-acetylphenyl)sulfonylpiperazin-1-ium-1-yl]-1-(azepan-1-yl)ethanone CAS Name: 2-[4-(4-acetylphenyl)sulfonyl-1-piperazin-1-iumyl]-1-(1-azepanyl)ethanone IUPAC Name: 2-[4-(4-acetylphenyl)sulfonylpiperazin-1-ium-1-yl]-1-(azepan-1-yl)ethanone Traditional Name: 2-[4-(4-acetylphenyl)sulfonylpiperazin-1-ium-1-yl]-1-(azepan-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)N2CC[NH+](CC2)CC(=O)N3CCCCCC3

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC(=O)N3CCCCCC3

InChI

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