2-[4-[2-chloranyl-5-(trifluoromethyl)phenyl]sulfonylpiperazin-1-ium-1-yl]-N-cycloheptyl-ethanamide

Systemtic Name: 2-[4-[2-chloranyl-5-(trifluoromethyl)phenyl]sulfonylpiperazin-1-ium-1-yl]-N-cycloheptyl-ethanamide Openeye Name: 2-[4-[2-chloro-5-(trifluoromethyl)phenyl]sulfonylpiperazin-1-ium-1-yl]-N-cycloheptyl-acetamide CAS Name: 2-[4-[2-chloro-5-(trifluoromethyl)phenyl]sulfonyl-1-piperazin-1-iumyl]-N-cycloheptylacetamide IUPAC Name: 2-[4-[2-chloro-5-(trifluoromethyl)phenyl]sulfonylpiperazin-1-ium-1-yl]-N-cycloheptylacetamide Traditional Name: 2-[4-[2-chloro-5-(trifluoromethyl)phenyl]sulfonylpiperazin-1-ium-1-yl]-N-cycloheptyl-acetamide Formula: C20H28ClF3N3O3S+ MolecularWeight: 482.96783

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CC1)NC(=O)C[NH+]2CCN(CC2)S(=O)(=O)C3=C(C=CC(=C3)C(F)(F)F)Cl

Isomeric SMILES

C1CCCC(CC1)NC(=O)C[NH+]2CCN(CC2)S(=O)(=O)C3=C(C=CC(=C3)C(F)(F)F)Cl

InChI

InChI=1S/C20H27ClF3N3O3S/c21-17-8-7-15(20(22,23)24)13-18(17)31(29,30)27-11-9-26(10-12-27)14-19(28)25-16-5-3-1-2-4-6-16/h7-8,13,16H,1-6,9-12,14H2,(H,25,28)/p+1