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

Systemtic Name: 1-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazin-1-yl]-2-ethoxy-ethanone Openeye Name: 1-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazin-1-yl]-2-ethoxy-ethanone CAS Name: 1-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-1-piperazinyl]-2-ethoxyethanone IUPAC Name: 1-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazin-1-yl]-2-ethoxyethanone Traditional Name: 1-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazino]-2-ethoxy-ethanone Formula: C17H24N2O6S MolecularWeight: 384.44726

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Descriptors Computed from Structure

Canonical SMILES:

CCOCC(=O)N1CCN(CC1)S(=O)(=O)C2=CC3=C(C=C2)OCCCO3

Isomeric SMILES

CCOCC(=O)N1CCN(CC1)S(=O)(=O)C2=CC3=C(C=C2)OCCCO3

InChI

InChI=1S/C17H24N2O6S/c1-2-23-13-17(20)18-6-8-19(9-7-18)26(21,22)14-4-5-15-16(12-14)25-11-3-10-24-15/h4-5,12H,2-3,6-11,13H2,1H3