1-(4-chloranyl-2-fluoranyl-phenyl)sulfonyl-4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazine

Systemtic Name: 1-(4-chloranyl-2-fluoranyl-phenyl)sulfonyl-4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazine Openeye Name: 1-(4-chloro-2-fluoro-phenyl)sulfonyl-4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazine CAS Name: 1-(4-chloro-2-fluorophenyl)sulfonyl-4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazine IUPAC Name: 1-(4-chloro-2-fluorophenyl)sulfonyl-4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazine Traditional Name: 1-(4-chloro-2-fluoro-phenyl)sulfonyl-4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazine Formula: C19H20ClFN2O6S2 MolecularWeight: 490.953303

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)S(=O)(=O)N3CCN(CC3)S(=O)(=O)C4=C(C=C(C=C4)Cl)F)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)S(=O)(=O)N3CCN(CC3)S(=O)(=O)C4=C(C=C(C=C4)Cl)F)OC1

InChI

InChI=1S/C19H20ClFN2O6S2/c20-14-2-5-19(16(21)12-14)31(26,27)23-8-6-22(7-9-23)30(24,25)15-3-4-17-18(13-15)29-11-1-10-28-17/h2-5,12-13H,1,6-11H2