4-[2-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazin-1-yl]-2-oxidanylidene-ethyl]piperazin-2-one

Systemtic Name: 4-[2-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazin-1-yl]-2-oxidanylidene-ethyl]piperazin-2-one Openeye Name: 4-[2-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazin-1-yl]-2-oxo-ethyl]piperazin-2-one CAS Name: 4-[2-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-1-piperazinyl]-2-oxoethyl]-2-piperazinone IUPAC Name: 4-[2-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazin-1-yl]-2-oxoethyl]piperazin-2-one Traditional Name: 4-[2-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazino]-2-keto-ethyl]piperazin-2-one Formula: C19H26N4O6S MolecularWeight: 438.49794

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)S(=O)(=O)N3CCN(CC3)C(=O)CN4CCNC(=O)C4)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)S(=O)(=O)N3CCN(CC3)C(=O)CN4CCNC(=O)C4)OC1

InChI

InChI=1S/C19H26N4O6S/c24-18-13-21(5-4-20-18)14-19(25)22-6-8-23(9-7-22)30(26,27)15-2-3-16-17(12-15)29-11-1-10-28-16/h2-3,12H,1,4-11,13-14H2,(H,20,24)