methyl 4-[[4-(2-fluorophenyl)piperazin-1-yl]sulfonylmethyl]benzoate

Systemtic Name: methyl 4-[[4-(2-fluorophenyl)piperazin-1-yl]sulfonylmethyl]benzoate Openeye Name: methyl 4-[[4-(2-fluorophenyl)piperazin-1-yl]sulfonylmethyl]benzoate CAS Name: 4-[[4-(2-fluorophenyl)-1-piperazinyl]sulfonylmethyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[4-(2-fluorophenyl)piperazin-1-yl]sulfonylmethyl]benzoate Traditional Name: 4-[[4-(2-fluorophenyl)piperazino]sulfonylmethyl]benzoic acid methyl ester Formula: C19H21FN2O4S MolecularWeight: 392.444443

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)CS(=O)(=O)N2CCN(CC2)C3=CC=CC=C3F

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CS(=O)(=O)N2CCN(CC2)C3=CC=CC=C3F

InChI

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