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

Systemtic Name: 2-[4-[3,4-bis(fluoranyl)phenyl]sulfonylpiperazin-1-ium-1-yl]-N-cyclohexyl-ethanamide Openeye Name: N-cyclohexyl-2-[4-(3,4-difluorophenyl)sulfonylpiperazin-1-ium-1-yl]acetamide CAS Name: N-cyclohexyl-2-[4-(3,4-difluorophenyl)sulfonyl-1-piperazin-1-iumyl]acetamide IUPAC Name: N-cyclohexyl-2-[4-(3,4-difluorophenyl)sulfonylpiperazin-1-ium-1-yl]acetamide Traditional Name: N-cyclohexyl-2-[4-(3,4-difluorophenyl)sulfonylpiperazin-1-ium-1-yl]acetamide Formula: C18H26F2N3O3S+ MolecularWeight: 402.479146

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC(=O)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC(=C(C=C3)F)F

Isomeric SMILES

C1CCC(CC1)NC(=O)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC(=C(C=C3)F)F

InChI

InChI=1S/C18H25F2N3O3S/c19-16-7-6-15(12-17(16)20)27(25,26)23-10-8-22(9-11-23)13-18(24)21-14-4-2-1-3-5-14/h6-7,12,14H,1-5,8-11,13H2,(H,21,24)/p+1