2-[4-(4-methylphenyl)sulfonylpiperazin-1-ium-1-yl]ethyl 3-fluoranylbenzoate

Systemtic Name: 2-[4-(4-methylphenyl)sulfonylpiperazin-1-ium-1-yl]ethyl 3-fluoranylbenzoate Openeye Name: 2-[4-(p-tolylsulfonyl)piperazin-1-ium-1-yl]ethyl 3-fluorobenzoate CAS Name: 3-fluorobenzoic acid 2-[4-(4-methylphenyl)sulfonyl-1-piperazin-1-iumyl]ethyl ester IUPAC Name: 2-[4-(4-methylphenyl)sulfonylpiperazin-1-ium-1-yl]ethyl 3-fluorobenzoate Traditional Name: 3-fluorobenzoic acid 2-(4-tosylpiperazin-1-ium-1-yl)ethyl ester Formula: C20H24FN2O4S+ MolecularWeight: 407.478963

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CCOC(=O)C3=CC(=CC=C3)F

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CCOC(=O)C3=CC(=CC=C3)F

InChI

InChI=1S/C20H23FN2O4S/c1-16-5-7-19(8-6-16)28(25,26)23-11-9-22(10-12-23)13-14-27-20(24)17-3-2-4-18(21)15-17/h2-8,15H,9-14H2,1H3/p+1