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

Systemtic Name: 1-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazin-1-yl]-2-(4-nitropyrazol-1-yl)ethanone Openeye Name: 1-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazin-1-yl]-2-(4-nitropyrazol-1-yl)ethanone CAS Name: 1-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-1-piperazinyl]-2-(4-nitro-1-pyrazolyl)ethanone IUPAC Name: 1-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazin-1-yl]-2-(4-nitropyrazol-1-yl)ethanone Traditional Name: 1-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazino]-2-(4-nitropyrazol-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(C=N4)[N+](=O)[O-])OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)S(=O)(=O)N3CCN(CC3)C(=O)CN4C=C(C=N4)[N+](=O)[O-])OC1

InChI

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