(2-bromanyl-4-fluoranyl-phenyl)-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazin-1-yl]methanone

Systemtic Name: (2-bromanyl-4-fluoranyl-phenyl)-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazin-1-yl]methanone Openeye Name: (2-bromo-4-fluoro-phenyl)-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazin-1-yl]methanone CAS Name: (2-bromo-4-fluorophenyl)-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-1-piperazinyl]methanone IUPAC Name: (2-bromo-4-fluorophenyl)-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazin-1-yl]methanone Traditional Name: (2-bromo-4-fluoro-phenyl)-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazino]methanone Formula: C20H20BrFN2O5S MolecularWeight: 499.350603

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20BrFN2O5S/c21-17-12-14(22)2-4-16(17)20(25)23-6-8-24(9-7-23)30(26,27)15-3-5-18-19(13-15)29-11-1-10-28-18/h2-5,12-13H,1,6-11H2