[2-[3,4-bis(fluoranyl)phenyl]-2-oxidanylidene-ethyl] 4-methoxy-3-pyrrolidin-1-ylsulfonyl-benzoate

Systemtic Name: [2-[3,4-bis(fluoranyl)phenyl]-2-oxidanylidene-ethyl] 4-methoxy-3-pyrrolidin-1-ylsulfonyl-benzoate Openeye Name: [2-(3,4-difluorophenyl)-2-oxo-ethyl] 4-methoxy-3-pyrrolidin-1-ylsulfonyl-benzoate CAS Name: 4-methoxy-3-(1-pyrrolidinylsulfonyl)benzoic acid [2-(3,4-difluorophenyl)-2-oxoethyl] ester IUPAC Name: [2-(3,4-difluorophenyl)-2-oxoethyl] 4-methoxy-3-pyrrolidin-1-ylsulfonylbenzoate Traditional Name: 4-methoxy-3-pyrrolidinosulfonyl-benzoic acid [2-(3,4-difluorophenyl)-2-keto-ethyl] ester Formula: C20H19F2NO6S MolecularWeight: 439.429766

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)OCC(=O)C2=CC(=C(C=C2)F)F)S(=O)(=O)N3CCCC3

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)OCC(=O)C2=CC(=C(C=C2)F)F)S(=O)(=O)N3CCCC3

InChI

InChI=1S/C20H19F2NO6S/c1-28-18-7-5-14(11-19(18)30(26,27)23-8-2-3-9-23)20(25)29-12-17(24)13-4-6-15(21)16(22)10-13/h4-7,10-11H,2-3,8-9,12H2,1H3