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

Systemtic Name: [2-(4-nitrophenyl)-2-oxidanylidene-ethyl] 4-fluoranyl-3-piperidin-1-ylsulfonyl-benzoate Openeye Name: [2-(4-nitrophenyl)-2-oxo-ethyl] 4-fluoro-3-(1-piperidylsulfonyl)benzoate CAS Name: 4-fluoro-3-(1-piperidinylsulfonyl)benzoic acid [2-(4-nitrophenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-nitrophenyl)-2-oxoethyl] 4-fluoro-3-piperidin-1-ylsulfonylbenzoate Traditional Name: 4-fluoro-3-piperidinosulfonyl-benzoic acid [2-keto-2-(4-nitrophenyl)ethyl] ester Formula: C20H19FN2O7S MolecularWeight: 450.437463

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)OCC(=O)C3=CC=C(C=C3)[N+](=O)[O-])F

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)OCC(=O)C3=CC=C(C=C3)[N+](=O)[O-])F

InChI

InChI=1S/C20H19FN2O7S/c21-17-9-6-15(12-19(17)31(28,29)22-10-2-1-3-11-22)20(25)30-13-18(24)14-4-7-16(8-5-14)23(26)27/h4-9,12H,1-3,10-11,13H2