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

Systemtic Name: 1-[2-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazin-1-yl]-2-oxidanylidene-ethyl]-5-nitro-pyridin-2-one Openeye Name: 1-[2-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazin-1-yl]-2-oxo-ethyl]-5-nitro-pyridin-2-one CAS Name: 1-[2-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-1-piperazinyl]-2-oxoethyl]-5-nitro-2-pyridinone IUPAC Name: 1-[2-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazin-1-yl]-2-oxoethyl]-5-nitropyridin-2-one Traditional Name: 1-[2-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazino]-2-keto-ethyl]-5-nitro-2-pyridone 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)CN4C=C(C=CC4=O)[N+](=O)[O-])OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)S(=O)(=O)N3CCN(CC3)C(=O)CN4C=C(C=CC4=O)[N+](=O)[O-])OC1

InChI

InChI=1S/C20H22N4O8S/c25-19-5-2-15(24(27)28)13-22(19)14-20(26)21-6-8-23(9-7-21)33(29,30)16-3-4-17-18(12-16)32-11-1-10-31-17/h2-5,12-13H,1,6-11,14H2