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

Systemtic Name: [4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazin-1-yl]-(5-fluoranyl-3-methyl-1-benzofuran-2-yl)methanone Openeye Name: [4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazin-1-yl]-(5-fluoro-3-methyl-benzofuran-2-yl)methanone CAS Name: [4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-1-piperazinyl]-(5-fluoro-3-methyl-2-benzofuranyl)methanone IUPAC Name: [4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazin-1-yl]-(5-fluoro-3-methyl-1-benzofuran-2-yl)methanone Traditional Name: [4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazino]-(5-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=C(C=C2)F)C(=O)N3CCN(CC3)S(=O)(=O)C4=CC5=C(C=C4)OCCCO5

Isomeric SMILES

CC1=C(OC2=C1C=C(C=C2)F)C(=O)N3CCN(CC3)S(=O)(=O)C4=CC5=C(C=C4)OCCCO5

InChI

InChI=1S/C23H23FN2O6S/c1-15-18-13-16(24)3-5-19(18)32-22(15)23(27)25-7-9-26(10-8-25)33(28,29)17-4-6-20-21(14-17)31-12-2-11-30-20/h3-6,13-14H,2,7-12H2,1H3