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

Systemtic Name: methyl 4-[[4-(4-fluorophenyl)piperazin-1-yl]sulfonylmethyl]benzoate Openeye Name: methyl 4-[[4-(4-fluorophenyl)piperazin-1-yl]sulfonylmethyl]benzoate CAS Name: 4-[[4-(4-fluorophenyl)-1-piperazinyl]sulfonylmethyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[4-(4-fluorophenyl)piperazin-1-yl]sulfonylmethyl]benzoate Traditional Name: 4-[[4-(4-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=C(C=C3)F

Isomeric SMILES

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

InChI

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