1-[(2-bromanyl-4-fluoranyl-phenyl)methyl]-4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazine

Systemtic Name: 1-[(2-bromanyl-4-fluoranyl-phenyl)methyl]-4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazine Openeye Name: 1-[(2-bromo-4-fluoro-phenyl)methyl]-4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazine CAS Name: 1-[(2-bromo-4-fluorophenyl)methyl]-4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazine IUPAC Name: 1-[(2-bromo-4-fluorophenyl)methyl]-4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazine Traditional Name: 1-(2-bromo-4-fluoro-benzyl)-4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazine Formula: C20H22BrFN2O4S MolecularWeight: 485.367083

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)S(=O)(=O)N3CCN(CC3)CC4=C(C=C(C=C4)F)Br)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)S(=O)(=O)N3CCN(CC3)CC4=C(C=C(C=C4)F)Br)OC1

InChI

InChI=1S/C20H22BrFN2O4S/c21-18-12-16(22)3-2-15(18)14-23-6-8-24(9-7-23)29(25,26)17-4-5-19-20(13-17)28-11-1-10-27-19/h2-5,12-13H,1,6-11,14H2