(5-methyl-2-oxidanylidene-oxolan-3-yl) 3-[4-(4-fluorophenyl)piperazin-1-yl]sulfonylbenzoate

Systemtic Name: (5-methyl-2-oxidanylidene-oxolan-3-yl) 3-[4-(4-fluorophenyl)piperazin-1-yl]sulfonylbenzoate Openeye Name: (5-methyl-2-oxo-tetrahydrofuran-3-yl) 3-[4-(4-fluorophenyl)piperazin-1-yl]sulfonylbenzoate CAS Name: 3-[[4-(4-fluorophenyl)-1-piperazinyl]sulfonyl]benzoic acid (5-methyl-2-oxo-3-oxolanyl) ester IUPAC Name: (5-methyl-2-oxooxolan-3-yl) 3-[4-(4-fluorophenyl)piperazin-1-yl]sulfonylbenzoate Traditional Name: 3-[4-(4-fluorophenyl)piperazino]sulfonylbenzoic acid (2-keto-5-methyl-tetrahydrofuran-3-yl) ester Formula: C22H23FN2O6S MolecularWeight: 462.491223

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(C(=O)O1)OC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCN(CC3)C4=CC=C(C=C4)F

Isomeric SMILES

CC1CC(C(=O)O1)OC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCN(CC3)C4=CC=C(C=C4)F

InChI

InChI=1S/C22H23FN2O6S/c1-15-13-20(22(27)30-15)31-21(26)16-3-2-4-19(14-16)32(28,29)25-11-9-24(10-12-25)18-7-5-17(23)6-8-18/h2-8,14-15,20H,9-13H2,1H3