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

Systemtic Name: 2-[4-[3,4-bis(fluoranyl)phenyl]sulfonylpiperazin-1-ium-1-yl]-N-methyl-N-phenyl-ethanamide Openeye Name: 2-[4-(3,4-difluorophenyl)sulfonylpiperazin-1-ium-1-yl]-N-methyl-N-phenyl-acetamide CAS Name: 2-[4-(3,4-difluorophenyl)sulfonyl-1-piperazin-1-iumyl]-N-methyl-N-phenylacetamide IUPAC Name: 2-[4-(3,4-difluorophenyl)sulfonylpiperazin-1-ium-1-yl]-N-methyl-N-phenylacetamide Traditional Name: 2-[4-(3,4-difluorophenyl)sulfonylpiperazin-1-ium-1-yl]-N-methyl-N-phenyl-acetamide Formula: C19H22F2N3O3S+ MolecularWeight: 410.458086

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1=CC=CC=C1)C(=O)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC(=C(C=C3)F)F

Isomeric SMILES

CN(C1=CC=CC=C1)C(=O)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC(=C(C=C3)F)F

InChI

InChI=1S/C19H21F2N3O3S/c1-22(15-5-3-2-4-6-15)19(25)14-23-9-11-24(12-10-23)28(26,27)16-7-8-17(20)18(21)13-16/h2-8,13H,9-12,14H2,1H3/p+1