1-[[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazin-1-yl]methyl]-5-fluoranyl-indole-2,3-dione

Systemtic Name: 1-[[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazin-1-yl]methyl]-5-fluoranyl-indole-2,3-dione Openeye Name: 1-[[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazin-1-yl]methyl]-5-fluoro-indoline-2,3-dione CAS Name: 1-[[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-1-piperazinyl]methyl]-5-fluoroindole-2,3-dione IUPAC Name: 1-[[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazin-1-yl]methyl]-5-fluoroindole-2,3-dione Traditional Name: 1-[[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazino]methyl]-5-fluoro-isatin Formula: C22H22FN3O6S MolecularWeight: 475.489983

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)S(=O)(=O)N3CCN(CC3)CN4C5=C(C=C(C=C5)F)C(=O)C4=O)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)S(=O)(=O)N3CCN(CC3)CN4C5=C(C=C(C=C5)F)C(=O)C4=O)OC1

InChI

InChI=1S/C22H22FN3O6S/c23-15-2-4-18-17(12-15)21(27)22(28)26(18)14-24-6-8-25(9-7-24)33(29,30)16-3-5-19-20(13-16)32-11-1-10-31-19/h2-5,12-13H,1,6-11,14H2