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

Systemtic Name: 2-[4-(3-chloranyl-4-fluoranyl-phenyl)sulfonylpiperazin-1-ium-1-yl]-N-pentyl-ethanamide Openeye Name: 2-[4-(3-chloro-4-fluoro-phenyl)sulfonylpiperazin-1-ium-1-yl]-N-pentyl-acetamide CAS Name: 2-[4-(3-chloro-4-fluorophenyl)sulfonyl-1-piperazin-1-iumyl]-N-pentylacetamide IUPAC Name: 2-[4-(3-chloro-4-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]-N-pentylacetamide Traditional Name: N-amyl-2-[4-(3-chloro-4-fluoro-phenyl)sulfonylpiperazin-1-ium-1-yl]acetamide Formula: C17H26ClFN3O3S+ MolecularWeight: 406.923043

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCNC(=O)C[NH+]1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)F)Cl

Isomeric SMILES

CCCCCNC(=O)C[NH+]1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)F)Cl

InChI

InChI=1S/C17H25ClFN3O3S/c1-2-3-4-7-20-17(23)13-21-8-10-22(11-9-21)26(24,25)14-5-6-16(19)15(18)12-14/h5-6,12H,2-4,7-11,13H2,1H3,(H,20,23)/p+1