5-[[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazin-1-yl]methyl]-3-thiophen-3-yl-1,2,4-oxadiazole

Systemtic Name: 5-[[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazin-1-yl]methyl]-3-thiophen-3-yl-1,2,4-oxadiazole Openeye Name: 5-[[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazin-1-yl]methyl]-3-(3-thienyl)-1,2,4-oxadiazole CAS Name: 5-[[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-1-piperazinyl]methyl]-3-(3-thiophenyl)-1,2,4-oxadiazole IUPAC Name: 5-[[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazin-1-yl]methyl]-3-thiophen-3-yl-1,2,4-oxadiazole Traditional Name: 5-[[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazino]methyl]-3-(3-thienyl)-1,2,4-oxadiazole Formula: C20H22N4O5S2 MolecularWeight: 462.54248

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)S(=O)(=O)N3CCN(CC3)CC4=NC(=NO4)C5=CSC=C5)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)S(=O)(=O)N3CCN(CC3)CC4=NC(=NO4)C5=CSC=C5)OC1

InChI

InChI=1S/C20H22N4O5S2/c25-31(26,16-2-3-17-18(12-16)28-10-1-9-27-17)24-7-5-23(6-8-24)13-19-21-20(22-29-19)15-4-11-30-14-15/h2-4,11-12,14H,1,5-10,13H2