(2-methoxy-2-oxidanylidene-1-phenyl-ethyl) 4-fluoranyl-3-piperidin-1-ylsulfonyl-benzoate

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22FNO6S/c1-28-21(25)19(15-8-4-2-5-9-15)29-20(24)16-10-11-17(22)18(14-16)30(26,27)23-12-6-3-7-13-23/h2,4-5,8-11,14,19H,3,6-7,12-13H2,1H3