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

Systemtic Name: 1-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazin-1-yl]-2-(4-nitroimidazol-1-yl)ethanone Openeye Name: 1-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazin-1-yl]-2-(4-nitroimidazol-1-yl)ethanone CAS Name: 1-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-1-piperazinyl]-2-(4-nitro-1-imidazolyl)ethanone IUPAC Name: 1-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazin-1-yl]-2-(4-nitroimidazol-1-yl)ethanone Traditional Name: 1-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazino]-2-(4-nitroimidazol-1-yl)ethanone Formula: C18H21N5O7S MolecularWeight: 451.45364

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)S(=O)(=O)N3CCN(CC3)C(=O)CN4C=C(N=C4)[N+](=O)[O-])OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)S(=O)(=O)N3CCN(CC3)C(=O)CN4C=C(N=C4)[N+](=O)[O-])OC1

InChI

InChI=1S/C18H21N5O7S/c24-18(12-20-11-17(19-13-20)23(25)26)21-4-6-22(7-5-21)31(27,28)14-2-3-15-16(10-14)30-9-1-8-29-15/h2-3,10-11,13H,1,4-9,12H2