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

Systemtic Name: [4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazin-1-yl]-(3-fluorophenyl)methanone Openeye Name: [4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazin-1-yl]-(3-fluorophenyl)methanone CAS Name: [4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-1-piperazinyl]-(3-fluorophenyl)methanone IUPAC Name: [4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazin-1-yl]-(3-fluorophenyl)methanone Traditional Name: [4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazino]-(3-fluorophenyl)methanone Formula: C20H21FN2O5S MolecularWeight: 420.454543

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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(=CC=C4)F)OC1

Isomeric SMILES

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

InChI

InChI=1S/C20H21FN2O5S/c21-16-4-1-3-15(13-16)20(24)22-7-9-23(10-8-22)29(25,26)17-5-6-18-19(14-17)28-12-2-11-27-18/h1,3-6,13-14H,2,7-12H2