methyl 3-[[4-(2-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]benzoate

Systemtic Name: methyl 3-[[4-(2-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]benzoate Openeye Name: methyl 3-[[4-(2-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]benzoate CAS Name: 3-[[4-(2-fluorophenyl)sulfonyl-1-piperazin-1-iumyl]methyl]benzoic acid methyl ester IUPAC Name: methyl 3-[[4-(2-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]benzoate Traditional Name: 3-[[4-(2-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]benzoic acid methyl ester Formula: C19H22FN2O4S+ MolecularWeight: 393.452383

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H21FN2O4S/c1-26-19(23)16-6-4-5-15(13-16)14-21-9-11-22(12-10-21)27(24,25)18-8-3-2-7-17(18)20/h2-8,13H,9-12,14H2,1H3/p+1