[2-[4-(3-chloranyl-4-fluoranyl-phenyl)sulfonylpiperazin-1-yl]-2-oxidanylidene-ethyl] cyclobutanecarboxylate

Systemtic Name: [2-[4-(3-chloranyl-4-fluoranyl-phenyl)sulfonylpiperazin-1-yl]-2-oxidanylidene-ethyl] cyclobutanecarboxylate Openeye Name: [2-[4-(3-chloro-4-fluoro-phenyl)sulfonylpiperazin-1-yl]-2-oxo-ethyl] cyclobutanecarboxylate CAS Name: cyclobutanecarboxylic acid [2-[4-(3-chloro-4-fluorophenyl)sulfonyl-1-piperazinyl]-2-oxoethyl] ester IUPAC Name: [2-[4-(3-chloro-4-fluorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl] cyclobutanecarboxylate Traditional Name: cyclobutanecarboxylic acid [2-[4-(3-chloro-4-fluoro-phenyl)sulfonylpiperazino]-2-keto-ethyl] ester Formula: C17H20ClFN2O5S MolecularWeight: 418.867503

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C1)C(=O)OCC(=O)N2CCN(CC2)S(=O)(=O)C3=CC(=C(C=C3)F)Cl

Isomeric SMILES

C1CC(C1)C(=O)OCC(=O)N2CCN(CC2)S(=O)(=O)C3=CC(=C(C=C3)F)Cl

InChI

InChI=1S/C17H20ClFN2O5S/c18-14-10-13(4-5-15(14)19)27(24,25)21-8-6-20(7-9-21)16(22)11-26-17(23)12-2-1-3-12/h4-5,10,12H,1-3,6-9,11H2