N-(1-adamantyl)-2-[4-(3-chloranyl-4-fluoranyl-phenyl)sulfonylpiperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(1-adamantyl)-2-[4-(3-chloranyl-4-fluoranyl-phenyl)sulfonylpiperazin-1-ium-1-yl]ethanamide Openeye Name: N-(1-adamantyl)-2-[4-(3-chloro-4-fluoro-phenyl)sulfonylpiperazin-1-ium-1-yl]acetamide CAS Name: N-(1-adamantyl)-2-[4-(3-chloro-4-fluorophenyl)sulfonyl-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(1-adamantyl)-2-[4-(3-chloro-4-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]acetamide Traditional Name: N-(1-adamantyl)-2-[4-(3-chloro-4-fluoro-phenyl)sulfonylpiperazin-1-ium-1-yl]acetamide Formula: C22H30ClFN3O3S+ MolecularWeight: 471.008303

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)NC23CC4CC(C2)CC(C4)C3)S(=O)(=O)C5=CC(=C(C=C5)F)Cl

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)NC23CC4CC(C2)CC(C4)C3)S(=O)(=O)C5=CC(=C(C=C5)F)Cl

InChI

InChI=1S/C22H29ClFN3O3S/c23-19-10-18(1-2-20(19)24)31(29,30)27-5-3-26(4-6-27)14-21(28)25-22-11-15-7-16(12-22)9-17(8-15)13-22/h1-2,10,15-17H,3-9,11-14H2,(H,25,28)/p+1