(3-fluorophenyl)methyl 4-(4-ethanoylpiperazin-1-yl)sulfonylbenzoate

Systemtic Name: (3-fluorophenyl)methyl 4-(4-ethanoylpiperazin-1-yl)sulfonylbenzoate Openeye Name: (3-fluorophenyl)methyl 4-(4-acetylpiperazin-1-yl)sulfonylbenzoate CAS Name: 4-[(4-acetyl-1-piperazinyl)sulfonyl]benzoic acid (3-fluorophenyl)methyl ester IUPAC Name: (3-fluorophenyl)methyl 4-(4-acetylpiperazin-1-yl)sulfonylbenzoate Traditional Name: 4-(4-acetylpiperazino)sulfonylbenzoic acid (3-fluorobenzyl) ester Formula: C20H21FN2O5S MolecularWeight: 420.454543

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)OCC3=CC(=CC=C3)F

Isomeric SMILES

CC(=O)N1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)OCC3=CC(=CC=C3)F

InChI

InChI=1S/C20H21FN2O5S/c1-15(24)22-9-11-23(12-10-22)29(26,27)19-7-5-17(6-8-19)20(25)28-14-16-3-2-4-18(21)13-16/h2-8,13H,9-12,14H2,1H3