methyl 2-[1-[2-(4-fluorophenyl)-2-oxidanylidene-ethyl]piperidin-4-yl]sulfonylbenzoate

Systemtic Name: methyl 2-[1-[2-(4-fluorophenyl)-2-oxidanylidene-ethyl]piperidin-4-yl]sulfonylbenzoate Openeye Name: methyl 2-[[1-[2-(4-fluorophenyl)-2-oxo-ethyl]-4-piperidyl]sulfonyl]benzoate CAS Name: 2-[[1-[2-(4-fluorophenyl)-2-oxoethyl]-4-piperidinyl]sulfonyl]benzoic acid methyl ester IUPAC Name: methyl 2-[1-[2-(4-fluorophenyl)-2-oxoethyl]piperidin-4-yl]sulfonylbenzoate Traditional Name: 2-[[1-[2-(4-fluorophenyl)-2-keto-ethyl]-4-piperidyl]sulfonyl]benzoic acid methyl ester Formula: C21H22FNO5S MolecularWeight: 419.466483

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1S(=O)(=O)C2CCN(CC2)CC(=O)C3=CC=C(C=C3)F

Isomeric SMILES

COC(=O)C1=CC=CC=C1S(=O)(=O)C2CCN(CC2)CC(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C21H22FNO5S/c1-28-21(25)18-4-2-3-5-20(18)29(26,27)17-10-12-23(13-11-17)14-19(24)15-6-8-16(22)9-7-15/h2-9,17H,10-14H2,1H3