2-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)sulfanyl]-1-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazin-1-yl]ethanone

Systemtic Name: 2-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)sulfanyl]-1-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazin-1-yl]ethanone Openeye Name: 2-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)sulfanyl]-1-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazin-1-yl]ethanone CAS Name: 2-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)thio]-1-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-1-piperazinyl]ethanone IUPAC Name: 2-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)sulfanyl]-1-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazin-1-yl]ethanone Traditional Name: 2-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)thio]-1-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazino]ethanone Formula: C20H24N4O6S2 MolecularWeight: 480.55776

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)S(=O)(=O)N3CCN(CC3)C(=O)CSC4=NN=C(O4)C5CC5)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)S(=O)(=O)N3CCN(CC3)C(=O)CSC4=NN=C(O4)C5CC5)OC1

InChI

InChI=1S/C20H24N4O6S2/c25-18(13-31-20-22-21-19(30-20)14-2-3-14)23-6-8-24(9-7-23)32(26,27)15-4-5-16-17(12-15)29-11-1-10-28-16/h4-5,12,14H,1-3,6-11,13H2