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

Systemtic Name: (5-bromanylfuran-2-yl)-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazin-1-yl]methanone Openeye Name: (5-bromo-2-furyl)-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazin-1-yl]methanone CAS Name: (5-bromo-2-furanyl)-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-1-piperazinyl]methanone IUPAC Name: (5-bromofuran-2-yl)-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazin-1-yl]methanone Traditional Name: (5-bromo-2-furyl)-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazino]methanone Formula: C18H19BrN2O6S MolecularWeight: 471.32226

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)S(=O)(=O)N3CCN(CC3)C(=O)C4=CC=C(O4)Br)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)S(=O)(=O)N3CCN(CC3)C(=O)C4=CC=C(O4)Br)OC1

InChI

InChI=1S/C18H19BrN2O6S/c19-17-5-4-15(27-17)18(22)20-6-8-21(9-7-20)28(23,24)13-2-3-14-16(12-13)26-11-1-10-25-14/h2-5,12H,1,6-11H2