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

Systemtic Name: [4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazin-1-yl]-(4-fluoranyl-1-benzothiophen-2-yl)methanone Openeye Name: [4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazin-1-yl]-(4-fluorobenzothiophen-2-yl)methanone CAS Name: [4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-1-piperazinyl]-(4-fluoro-1-benzothiophen-2-yl)methanone IUPAC Name: [4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazin-1-yl]-(4-fluoro-1-benzothiophen-2-yl)methanone Traditional Name: [4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazino]-(4-fluorobenzothiophen-2-yl)methanone Formula: C22H21FN2O5S2 MolecularWeight: 476.540943

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)S(=O)(=O)N3CCN(CC3)C(=O)C4=CC5=C(C=CC=C5S4)F)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)S(=O)(=O)N3CCN(CC3)C(=O)C4=CC5=C(C=CC=C5S4)F)OC1

InChI

InChI=1S/C22H21FN2O5S2/c23-17-3-1-4-20-16(17)14-21(31-20)22(26)24-7-9-25(10-8-24)32(27,28)15-5-6-18-19(13-15)30-12-2-11-29-18/h1,3-6,13-14H,2,7-12H2