1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-4-(6-nitropyridin-3-yl)piperazine

Systemtic Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-4-(6-nitropyridin-3-yl)piperazine Openeye Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-4-(6-nitro-3-pyridyl)piperazine CAS Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-4-(6-nitro-3-pyridinyl)piperazine IUPAC Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-4-(6-nitropyridin-3-yl)piperazine Traditional Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-4-(6-nitro-3-pyridyl)piperazine Formula: C18H20N4O6S MolecularWeight: 420.4396

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20N4O6S/c23-22(24)18-5-2-14(13-19-18)20-6-8-21(9-7-20)29(25,26)15-3-4-16-17(12-15)28-11-1-10-27-16/h2-5,12-13H,1,6-11H2