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

Systemtic Name: 2-[4-(3-chloranyl-4-fluoranyl-phenyl)sulfonylpiperazin-1-ium-1-yl]-N-cyclohexyl-N-ethyl-ethanamide Openeye Name: 2-[4-(3-chloro-4-fluoro-phenyl)sulfonylpiperazin-1-ium-1-yl]-N-cyclohexyl-N-ethyl-acetamide CAS Name: 2-[4-(3-chloro-4-fluorophenyl)sulfonyl-1-piperazin-1-iumyl]-N-cyclohexyl-N-ethylacetamide IUPAC Name: 2-[4-(3-chloro-4-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]-N-cyclohexyl-N-ethylacetamide Traditional Name: 2-[4-(3-chloro-4-fluoro-phenyl)sulfonylpiperazin-1-ium-1-yl]-N-cyclohexyl-N-ethyl-acetamide Formula: C20H30ClFN3O3S+ MolecularWeight: 446.986903

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(C1CCCCC1)C(=O)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC(=C(C=C3)F)Cl

Isomeric SMILES

CCN(C1CCCCC1)C(=O)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC(=C(C=C3)F)Cl

InChI

InChI=1S/C20H29ClFN3O3S/c1-2-25(16-6-4-3-5-7-16)20(26)15-23-10-12-24(13-11-23)29(27,28)17-8-9-19(22)18(21)14-17/h8-9,14,16H,2-7,10-13,15H2,1H3/p+1