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

Systemtic Name: [4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazin-1-yl]-(7-fluoranyl-3-methyl-1-benzofuran-2-yl)methanone Openeye Name: [4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazin-1-yl]-(7-fluoro-3-methyl-benzofuran-2-yl)methanone CAS Name: [4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-1-piperazinyl]-(7-fluoro-3-methyl-2-benzofuranyl)methanone IUPAC Name: [4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazin-1-yl]-(7-fluoro-3-methyl-1-benzofuran-2-yl)methanone Traditional Name: [4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazino]-(7-fluoro-3-methyl-benzofuran-2-yl)methanone Formula: C23H23FN2O6S MolecularWeight: 474.501923

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=C1C=CC=C2F)C(=O)N3CCN(CC3)S(=O)(=O)C4=CC5=C(C=C4)OCCCO5

Isomeric SMILES

CC1=C(OC2=C1C=CC=C2F)C(=O)N3CCN(CC3)S(=O)(=O)C4=CC5=C(C=C4)OCCCO5

InChI

InChI=1S/C23H23FN2O6S/c1-15-17-4-2-5-18(24)22(17)32-21(15)23(27)25-8-10-26(11-9-25)33(28,29)16-6-7-19-20(14-16)31-13-3-12-30-19/h2,4-7,14H,3,8-13H2,1H3