N-(3-fluoranyl-4-methyl-phenyl)-2-(4-naphthalen-2-ylsulfonylpiperazin-1-ium-1-yl)ethanamide

Systemtic Name: N-(3-fluoranyl-4-methyl-phenyl)-2-(4-naphthalen-2-ylsulfonylpiperazin-1-ium-1-yl)ethanamide Openeye Name: N-(3-fluoro-4-methyl-phenyl)-2-[4-(2-naphthylsulfonyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-(3-fluoro-4-methylphenyl)-2-[4-(2-naphthalenylsulfonyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(3-fluoro-4-methylphenyl)-2-(4-naphthalen-2-ylsulfonylpiperazin-1-ium-1-yl)acetamide Traditional Name: N-(3-fluoro-4-methyl-phenyl)-2-[4-(2-naphthylsulfonyl)piperazin-1-ium-1-yl]acetamide Formula: C23H25FN3O3S+ MolecularWeight: 442.526303

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC4=CC=CC=C4C=C3)F

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC4=CC=CC=C4C=C3)F

InChI

InChI=1S/C23H24FN3O3S/c1-17-6-8-20(15-22(17)24)25-23(28)16-26-10-12-27(13-11-26)31(29,30)21-9-7-18-4-2-3-5-19(18)14-21/h2-9,14-15H,10-13,16H2,1H3,(H,25,28)/p+1