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

Systemtic Name: 1-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazin-1-yl]-2-(2-nitropyridin-3-yl)oxy-ethanone Openeye Name: 1-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazin-1-yl]-2-[(2-nitro-3-pyridyl)oxy]ethanone CAS Name: 1-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-1-piperazinyl]-2-[(2-nitro-3-pyridinyl)oxy]ethanone IUPAC Name: 1-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazin-1-yl]-2-(2-nitropyridin-3-yl)oxyethanone Traditional Name: 1-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazino]-2-[(2-nitro-3-pyridyl)oxy]ethanone Formula: C20H22N4O8S MolecularWeight: 478.47568

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)S(=O)(=O)N3CCN(CC3)C(=O)COC4=C(N=CC=C4)[N+](=O)[O-])OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)S(=O)(=O)N3CCN(CC3)C(=O)COC4=C(N=CC=C4)[N+](=O)[O-])OC1

InChI

InChI=1S/C20H22N4O8S/c25-19(14-32-17-3-1-6-21-20(17)24(26)27)22-7-9-23(10-8-22)33(28,29)15-4-5-16-18(13-15)31-12-2-11-30-16/h1,3-6,13H,2,7-12,14H2