[2-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]-2-oxidanylidene-ethyl] 3,3-dimethylbutanoate

Systemtic Name: [2-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]-2-oxidanylidene-ethyl] 3,3-dimethylbutanoate Openeye Name: [2-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]-2-oxo-ethyl] 3,3-dimethylbutanoate CAS Name: 3,3-dimethylbutanoic acid [2-[4-(3-fluorophenyl)sulfonyl-1-piperazinyl]-2-oxoethyl] ester IUPAC Name: [2-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl] 3,3-dimethylbutanoate Traditional Name: 3,3-dimethylbutyric acid [2-[4-(3-fluorophenyl)sulfonylpiperazino]-2-keto-ethyl] ester Formula: C18H25FN2O5S MolecularWeight: 400.464903

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CC(=O)OCC(=O)N1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)F

Isomeric SMILES

CC(C)(C)CC(=O)OCC(=O)N1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)F

InChI

InChI=1S/C18H25FN2O5S/c1-18(2,3)12-17(23)26-13-16(22)20-7-9-21(10-8-20)27(24,25)15-6-4-5-14(19)11-15/h4-6,11H,7-10,12-13H2,1-3H3