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

Systemtic Name: 2-[4-(4-chloranyl-2-fluoranyl-phenyl)sulfonylpiperazin-1-ium-1-yl]-N-cyclopropyl-ethanamide Openeye Name: 2-[4-(4-chloro-2-fluoro-phenyl)sulfonylpiperazin-1-ium-1-yl]-N-cyclopropyl-acetamide CAS Name: 2-[4-(4-chloro-2-fluorophenyl)sulfonyl-1-piperazin-1-iumyl]-N-cyclopropylacetamide IUPAC Name: 2-[4-(4-chloro-2-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]-N-cyclopropylacetamide Traditional Name: 2-[4-(4-chloro-2-fluoro-phenyl)sulfonylpiperazin-1-ium-1-yl]-N-cyclopropyl-acetamide Formula: C15H20ClFN3O3S+ MolecularWeight: 376.854003

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1NC(=O)C[NH+]2CCN(CC2)S(=O)(=O)C3=C(C=C(C=C3)Cl)F

Isomeric SMILES

C1CC1NC(=O)C[NH+]2CCN(CC2)S(=O)(=O)C3=C(C=C(C=C3)Cl)F

InChI

InChI=1S/C15H19ClFN3O3S/c16-11-1-4-14(13(17)9-11)24(22,23)20-7-5-19(6-8-20)10-15(21)18-12-2-3-12/h1,4,9,12H,2-3,5-8,10H2,(H,18,21)/p+1