(4-fluorophenyl)methyl 3-[4-(4-fluorophenyl)piperazin-1-yl]sulfonylbenzoate

Systemtic Name: (4-fluorophenyl)methyl 3-[4-(4-fluorophenyl)piperazin-1-yl]sulfonylbenzoate Openeye Name: (4-fluorophenyl)methyl 3-[4-(4-fluorophenyl)piperazin-1-yl]sulfonylbenzoate CAS Name: 3-[[4-(4-fluorophenyl)-1-piperazinyl]sulfonyl]benzoic acid (4-fluorophenyl)methyl ester IUPAC Name: (4-fluorophenyl)methyl 3-[4-(4-fluorophenyl)piperazin-1-yl]sulfonylbenzoate Traditional Name: 3-[4-(4-fluorophenyl)piperazino]sulfonylbenzoic acid (4-fluorobenzyl) ester Formula: C24H22F2N2O4S MolecularWeight: 472.504286

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=C(C=C2)F)S(=O)(=O)C3=CC=CC(=C3)C(=O)OCC4=CC=C(C=C4)F

Isomeric SMILES

C1CN(CCN1C2=CC=C(C=C2)F)S(=O)(=O)C3=CC=CC(=C3)C(=O)OCC4=CC=C(C=C4)F

InChI

InChI=1S/C24H22F2N2O4S/c25-20-6-4-18(5-7-20)17-32-24(29)19-2-1-3-23(16-19)33(30,31)28-14-12-27(13-15-28)22-10-8-21(26)9-11-22/h1-11,16H,12-15,17H2