2-[4-[2,6-bis(fluoranyl)phenyl]sulfonylpiperazin-1-ium-1-yl]-N-cyclohexyl-ethanamide

Systemtic Name: 2-[4-[2,6-bis(fluoranyl)phenyl]sulfonylpiperazin-1-ium-1-yl]-N-cyclohexyl-ethanamide Openeye Name: N-cyclohexyl-2-[4-(2,6-difluorophenyl)sulfonylpiperazin-1-ium-1-yl]acetamide CAS Name: N-cyclohexyl-2-[4-(2,6-difluorophenyl)sulfonyl-1-piperazin-1-iumyl]acetamide IUPAC Name: N-cyclohexyl-2-[4-(2,6-difluorophenyl)sulfonylpiperazin-1-ium-1-yl]acetamide Traditional Name: N-cyclohexyl-2-[4-(2,6-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=C(C=CC=C3F)F

Isomeric SMILES

C1CCC(CC1)NC(=O)C[NH+]2CCN(CC2)S(=O)(=O)C3=C(C=CC=C3F)F

InChI

InChI=1S/C18H25F2N3O3S/c19-15-7-4-8-16(20)18(15)27(25,26)23-11-9-22(10-12-23)13-17(24)21-14-5-2-1-3-6-14/h4,7-8,14H,1-3,5-6,9-13H2,(H,21,24)/p+1