(2-chloranyl-6-fluoranyl-phenyl)methyl 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperidine-4-carboxylate

Systemtic Name: (2-chloranyl-6-fluoranyl-phenyl)methyl 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperidine-4-carboxylate Openeye Name: (2-chloro-6-fluoro-phenyl)methyl 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-chloro-6-fluorophenyl)methyl ester IUPAC Name: (2-chloro-6-fluorophenyl)methyl 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-chloro-6-fluoro-benzyl) ester Formula: C22H23ClFNO6S MolecularWeight: 483.937523

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)S(=O)(=O)N3CCC(CC3)C(=O)OCC4=C(C=CC=C4Cl)F)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)S(=O)(=O)N3CCC(CC3)C(=O)OCC4=C(C=CC=C4Cl)F)OC1

InChI

InChI=1S/C22H23ClFNO6S/c23-18-3-1-4-19(24)17(18)14-31-22(26)15-7-9-25(10-8-15)32(27,28)16-5-6-20-21(13-16)30-12-2-11-29-20/h1,3-6,13,15H,2,7-12,14H2