[2-(2-fluorophenyl)-2-oxidanylidene-ethyl] 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperidine-4-carboxylate

Systemtic Name: [2-(2-fluorophenyl)-2-oxidanylidene-ethyl] 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperidine-4-carboxylate Openeye Name: [2-(2-fluorophenyl)-2-oxo-ethyl] 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperidine-4-carboxylate CAS Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-4-piperidinecarboxylic acid [2-(2-fluorophenyl)-2-oxoethyl] ester IUPAC Name: [2-(2-fluorophenyl)-2-oxoethyl] 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperidine-4-carboxylate Traditional Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)isonipecotic acid [2-(2-fluorophenyl)-2-keto-ethyl] ester Formula: C23H24FNO7S MolecularWeight: 477.502563

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)S(=O)(=O)N3CCC(CC3)C(=O)OCC(=O)C4=CC=CC=C4F)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)S(=O)(=O)N3CCC(CC3)C(=O)OCC(=O)C4=CC=CC=C4F)OC1

InChI

InChI=1S/C23H24FNO7S/c24-19-5-2-1-4-18(19)20(26)15-32-23(27)16-8-10-25(11-9-16)33(28,29)17-6-7-21-22(14-17)31-13-3-12-30-21/h1-2,4-7,14,16H,3,8-13,15H2