[2-(3-methyl-1-benzofuran-2-yl)-2-oxidanylidene-ethyl] 1-(4-fluorophenyl)sulfonylpiperidine-3-carboxylate

Systemtic Name: [2-(3-methyl-1-benzofuran-2-yl)-2-oxidanylidene-ethyl] 1-(4-fluorophenyl)sulfonylpiperidine-3-carboxylate Openeye Name: [2-(3-methylbenzofuran-2-yl)-2-oxo-ethyl] 1-(4-fluorophenyl)sulfonylpiperidine-3-carboxylate CAS Name: 1-(4-fluorophenyl)sulfonyl-3-piperidinecarboxylic acid [2-(3-methyl-2-benzofuranyl)-2-oxoethyl] ester IUPAC Name: [2-(3-methyl-1-benzofuran-2-yl)-2-oxoethyl] 1-(4-fluorophenyl)sulfonylpiperidine-3-carboxylate Traditional Name: 1-(4-fluorophenyl)sulfonylnipecotic acid [2-keto-2-(3-methylbenzofuran-2-yl)ethyl] ester Formula: C23H22FNO6S MolecularWeight: 459.487283

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=CC=CC=C12)C(=O)COC(=O)C3CCCN(C3)S(=O)(=O)C4=CC=C(C=C4)F

Isomeric SMILES

CC1=C(OC2=CC=CC=C12)C(=O)COC(=O)C3CCCN(C3)S(=O)(=O)C4=CC=C(C=C4)F

InChI

InChI=1S/C23H22FNO6S/c1-15-19-6-2-3-7-21(19)31-22(15)20(26)14-30-23(27)16-5-4-12-25(13-16)32(28,29)18-10-8-17(24)9-11-18/h2-3,6-11,16H,4-5,12-14H2,1H3