2-[4-(4-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]-N-[2-(2-methylphenyl)ethyl]ethanamide

Systemtic Name: 2-[4-(4-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]-N-[2-(2-methylphenyl)ethyl]ethanamide Openeye Name: 2-[4-(4-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]-N-[2-(o-tolyl)ethyl]acetamide CAS Name: 2-[4-(4-fluorophenyl)sulfonyl-1-piperazin-1-iumyl]-N-[2-(2-methylphenyl)ethyl]acetamide IUPAC Name: 2-[4-(4-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]-N-[2-(2-methylphenyl)ethyl]acetamide Traditional Name: 2-[4-(4-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]-N-[2-(o-tolyl)ethyl]acetamide Formula: C21H27FN3O3S+ MolecularWeight: 420.520783

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CCNC(=O)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)F

Isomeric SMILES

CC1=CC=CC=C1CCNC(=O)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C21H26FN3O3S/c1-17-4-2-3-5-18(17)10-11-23-21(26)16-24-12-14-25(15-13-24)29(27,28)20-8-6-19(22)7-9-20/h2-9H,10-16H2,1H3,(H,23,26)/p+1