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

Systemtic Name: [2-oxidanylidene-2-(propylamino)ethyl] 3-[4-(4-fluorophenyl)piperazin-1-yl]sulfonylbenzoate Openeye Name: [2-oxo-2-(propylamino)ethyl] 3-[4-(4-fluorophenyl)piperazin-1-yl]sulfonylbenzoate CAS Name: 3-[[4-(4-fluorophenyl)-1-piperazinyl]sulfonyl]benzoic acid [2-oxo-2-(propylamino)ethyl] ester IUPAC Name: [2-oxo-2-(propylamino)ethyl] 3-[4-(4-fluorophenyl)piperazin-1-yl]sulfonylbenzoate Traditional Name: 3-[4-(4-fluorophenyl)piperazino]sulfonylbenzoic acid [2-keto-2-(propylamino)ethyl] ester Formula: C22H26FN3O5S MolecularWeight: 463.522343

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26FN3O5S/c1-2-10-24-21(27)16-31-22(28)17-4-3-5-20(15-17)32(29,30)26-13-11-25(12-14-26)19-8-6-18(23)7-9-19/h3-9,15H,2,10-14,16H2,1H3,(H,24,27)