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

Systemtic Name: 2-[4-[2,6-bis(fluoranyl)phenyl]sulfonylpiperazin-1-ium-1-yl]-N-(4-methylphenyl)ethanamide Openeye Name: 2-[4-(2,6-difluorophenyl)sulfonylpiperazin-1-ium-1-yl]-N-(p-tolyl)acetamide CAS Name: 2-[4-(2,6-difluorophenyl)sulfonyl-1-piperazin-1-iumyl]-N-(4-methylphenyl)acetamide IUPAC Name: 2-[4-(2,6-difluorophenyl)sulfonylpiperazin-1-ium-1-yl]-N-(4-methylphenyl)acetamide Traditional Name: 2-[4-(2,6-difluorophenyl)sulfonylpiperazin-1-ium-1-yl]-N-(p-tolyl)acetamide Formula: C19H22F2N3O3S+ MolecularWeight: 410.458086

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)C[NH+]2CCN(CC2)S(=O)(=O)C3=C(C=CC=C3F)F

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)C[NH+]2CCN(CC2)S(=O)(=O)C3=C(C=CC=C3F)F

InChI

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