2-(azepan-1-ium-1-yl)-1-[4-(3-chloranyl-4-fluoranyl-phenyl)sulfonylpiperazin-1-yl]ethanone

Systemtic Name: 2-(azepan-1-ium-1-yl)-1-[4-(3-chloranyl-4-fluoranyl-phenyl)sulfonylpiperazin-1-yl]ethanone Openeye Name: 2-(azepan-1-ium-1-yl)-1-[4-(3-chloro-4-fluoro-phenyl)sulfonylpiperazin-1-yl]ethanone CAS Name: 2-(1-azepan-1-iumyl)-1-[4-(3-chloro-4-fluorophenyl)sulfonyl-1-piperazinyl]ethanone IUPAC Name: 2-(azepan-1-ium-1-yl)-1-[4-(3-chloro-4-fluorophenyl)sulfonylpiperazin-1-yl]ethanone Traditional Name: 2-(azepan-1-ium-1-yl)-1-[4-(3-chloro-4-fluoro-phenyl)sulfonylpiperazino]ethanone Formula: C18H26ClFN3O3S+ MolecularWeight: 418.933743

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC[NH+](CC1)CC(=O)N2CCN(CC2)S(=O)(=O)C3=CC(=C(C=C3)F)Cl

Isomeric SMILES

C1CCC[NH+](CC1)CC(=O)N2CCN(CC2)S(=O)(=O)C3=CC(=C(C=C3)F)Cl

InChI

InChI=1S/C18H25ClFN3O3S/c19-16-13-15(5-6-17(16)20)27(25,26)23-11-9-22(10-12-23)18(24)14-21-7-3-1-2-4-8-21/h5-6,13H,1-4,7-12,14H2/p+1