[2-(5-bromanylthiophen-2-yl)-2-oxidanylidene-ethyl] 4-fluoranyl-3-piperidin-1-ylsulfonyl-benzoate

Systemtic Name: [2-(5-bromanylthiophen-2-yl)-2-oxidanylidene-ethyl] 4-fluoranyl-3-piperidin-1-ylsulfonyl-benzoate Openeye Name: [2-(5-bromo-2-thienyl)-2-oxo-ethyl] 4-fluoro-3-(1-piperidylsulfonyl)benzoate CAS Name: 4-fluoro-3-(1-piperidinylsulfonyl)benzoic acid [2-(5-bromo-2-thiophenyl)-2-oxoethyl] ester IUPAC Name: [2-(5-bromothiophen-2-yl)-2-oxoethyl] 4-fluoro-3-piperidin-1-ylsulfonylbenzoate Traditional Name: 4-fluoro-3-piperidinosulfonyl-benzoic acid [2-(5-bromo-2-thienyl)-2-keto-ethyl] ester Formula: C18H17BrFNO5S2 MolecularWeight: 490.363683

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)OCC(=O)C3=CC=C(S3)Br)F

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)OCC(=O)C3=CC=C(S3)Br)F

InChI

InChI=1S/C18H17BrFNO5S2/c19-17-7-6-15(27-17)14(22)11-26-18(23)12-4-5-13(20)16(10-12)28(24,25)21-8-2-1-3-9-21/h4-7,10H,1-3,8-9,11H2