[(1S)-2-oxidanylidenecyclopentyl] 3-[4-(4-fluorophenyl)piperazin-1-yl]sulfonylbenzoate

Systemtic Name: [(1S)-2-oxidanylidenecyclopentyl] 3-[4-(4-fluorophenyl)piperazin-1-yl]sulfonylbenzoate Openeye Name: [(1S)-2-oxocyclopentyl] 3-[4-(4-fluorophenyl)piperazin-1-yl]sulfonylbenzoate CAS Name: 3-[[4-(4-fluorophenyl)-1-piperazinyl]sulfonyl]benzoic acid [(1S)-2-oxocyclopentyl] ester IUPAC Name: [(1S)-2-oxocyclopentyl] 3-[4-(4-fluorophenyl)piperazin-1-yl]sulfonylbenzoate Traditional Name: 3-[4-(4-fluorophenyl)piperazino]sulfonylbenzoic acid [(1S)-2-ketocyclopentyl] ester Formula: C22H23FN2O5S MolecularWeight: 446.491823

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C(=O)C1)OC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCN(CC3)C4=CC=C(C=C4)F

Isomeric SMILES

C1C[C@@H](C(=O)C1)OC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCN(CC3)C4=CC=C(C=C4)F

InChI

InChI=1S/C22H23FN2O5S/c23-17-7-9-18(10-8-17)24-11-13-25(14-12-24)31(28,29)19-4-1-3-16(15-19)22(27)30-21-6-2-5-20(21)26/h1,3-4,7-10,15,21H,2,5-6,11-14H2/t21-/m0/s1