[2-oxidanylidene-2-(1H-pyrrol-2-yl)ethyl] 3-[4-(4-fluorophenyl)piperazin-1-yl]sulfonylbenzoate

Systemtic Name: [2-oxidanylidene-2-(1H-pyrrol-2-yl)ethyl] 3-[4-(4-fluorophenyl)piperazin-1-yl]sulfonylbenzoate Openeye Name: [2-oxo-2-(1H-pyrrol-2-yl)ethyl] 3-[4-(4-fluorophenyl)piperazin-1-yl]sulfonylbenzoate CAS Name: 3-[[4-(4-fluorophenyl)-1-piperazinyl]sulfonyl]benzoic acid [2-oxo-2-(1H-pyrrol-2-yl)ethyl] ester IUPAC Name: [2-oxo-2-(1H-pyrrol-2-yl)ethyl] 3-[4-(4-fluorophenyl)piperazin-1-yl]sulfonylbenzoate Traditional Name: 3-[4-(4-fluorophenyl)piperazino]sulfonylbenzoic acid [2-keto-2-(1H-pyrrol-2-yl)ethyl] ester Formula: C23H22FN3O5S MolecularWeight: 471.501283

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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)OCC(=O)C4=CC=CN4

Isomeric SMILES

C1CN(CCN1C2=CC=C(C=C2)F)S(=O)(=O)C3=CC=CC(=C3)C(=O)OCC(=O)C4=CC=CN4

InChI

InChI=1S/C23H22FN3O5S/c24-18-6-8-19(9-7-18)26-11-13-27(14-12-26)33(30,31)20-4-1-3-17(15-20)23(29)32-16-22(28)21-5-2-10-25-21/h1-10,15,25H,11-14,16H2