[2-(5-fluoranyl-2-methoxy-phenyl)-2-oxidanylidene-ethyl] 3-piperidin-1-ylsulfonylbenzoate

Systemtic Name: [2-(5-fluoranyl-2-methoxy-phenyl)-2-oxidanylidene-ethyl] 3-piperidin-1-ylsulfonylbenzoate Openeye Name: [2-(5-fluoro-2-methoxy-phenyl)-2-oxo-ethyl] 3-(1-piperidylsulfonyl)benzoate CAS Name: 3-(1-piperidinylsulfonyl)benzoic acid [2-(5-fluoro-2-methoxyphenyl)-2-oxoethyl] ester IUPAC Name: [2-(5-fluoro-2-methoxyphenyl)-2-oxoethyl] 3-piperidin-1-ylsulfonylbenzoate Traditional Name: 3-piperidinosulfonylbenzoic acid [2-(5-fluoro-2-methoxy-phenyl)-2-keto-ethyl] ester Formula: C21H22FNO6S MolecularWeight: 435.465883

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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