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

Systemtic Name: 5-chloranyl-4-[[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazin-1-yl]methyl]-1,2,3-thiadiazole Openeye Name: 5-chloro-4-[[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazin-1-yl]methyl]thiadiazole CAS Name: 5-chloro-4-[[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-1-piperazinyl]methyl]thiadiazole IUPAC Name: 5-chloro-4-[[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazin-1-yl]methyl]thiadiazole Traditional Name: 5-chloro-4-[[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazino]methyl]thiadiazole Formula: C16H19ClN4O4S2 MolecularWeight: 430.92946

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)S(=O)(=O)N3CCN(CC3)CC4=C(SN=N4)Cl)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)S(=O)(=O)N3CCN(CC3)CC4=C(SN=N4)Cl)OC1

InChI

InChI=1S/C16H19ClN4O4S2/c17-16-13(18-19-26-16)11-20-4-6-21(7-5-20)27(22,23)12-2-3-14-15(10-12)25-9-1-8-24-14/h2-3,10H,1,4-9,11H2