[2-(3-methoxyphenyl)-2-oxidanylidene-ethyl] 4-fluoranyl-3-piperidin-1-ylsulfonyl-benzoate

Systemtic Name: [2-(3-methoxyphenyl)-2-oxidanylidene-ethyl] 4-fluoranyl-3-piperidin-1-ylsulfonyl-benzoate Openeye Name: [2-(3-methoxyphenyl)-2-oxo-ethyl] 4-fluoro-3-(1-piperidylsulfonyl)benzoate CAS Name: 4-fluoro-3-(1-piperidinylsulfonyl)benzoic acid [2-(3-methoxyphenyl)-2-oxoethyl] ester IUPAC Name: [2-(3-methoxyphenyl)-2-oxoethyl] 4-fluoro-3-piperidin-1-ylsulfonylbenzoate Traditional Name: 4-fluoro-3-piperidinosulfonyl-benzoic acid [2-keto-2-(3-methoxyphenyl)ethyl] ester Formula: C21H22FNO6S MolecularWeight: 435.465883

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C(=O)COC(=O)C2=CC(=C(C=C2)F)S(=O)(=O)N3CCCCC3

Isomeric SMILES

COC1=CC=CC(=C1)C(=O)COC(=O)C2=CC(=C(C=C2)F)S(=O)(=O)N3CCCCC3

InChI

InChI=1S/C21H22FNO6S/c1-28-17-7-5-6-15(12-17)19(24)14-29-21(25)16-8-9-18(22)20(13-16)30(26,27)23-10-3-2-4-11-23/h5-9,12-13H,2-4,10-11,14H2,1H3