dimethyl 5-[4-[(3-fluorophenyl)methylidene]piperidin-1-yl]sulfonylbenzene-1,3-dicarboxylate

Systemtic Name: dimethyl 5-[4-[(3-fluorophenyl)methylidene]piperidin-1-yl]sulfonylbenzene-1,3-dicarboxylate Openeye Name: dimethyl 5-[[4-[(3-fluorophenyl)methylene]-1-piperidyl]sulfonyl]benzene-1,3-dicarboxylate CAS Name: 5-[[4-[(3-fluorophenyl)methylidene]-1-piperidinyl]sulfonyl]benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[4-[(3-fluorophenyl)methylidene]piperidin-1-yl]sulfonylbenzene-1,3-dicarboxylate Traditional Name: 5-[4-(3-fluorobenzylidene)piperidino]sulfonylbenzene-1,3-dicarboxylic acid dimethyl ester Formula: C22H22FNO6S MolecularWeight: 447.476583

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)S(=O)(=O)N2CCC(=CC3=CC(=CC=C3)F)CC2)C(=O)OC

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)S(=O)(=O)N2CCC(=CC3=CC(=CC=C3)F)CC2)C(=O)OC

InChI

InChI=1S/C22H22FNO6S/c1-29-21(25)17-12-18(22(26)30-2)14-20(13-17)31(27,28)24-8-6-15(7-9-24)10-16-4-3-5-19(23)11-16/h3-5,10-14H,6-9H2,1-2H3