4-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)-3-nitro-phenyl]sulfonylmorpholine

Systemtic Name: 4-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)-3-nitro-phenyl]sulfonylmorpholine Openeye Name: 4-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)-3-nitro-phenyl]sulfonylmorpholine CAS Name: 4-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylthio)-3-nitrophenyl]sulfonylmorpholine IUPAC Name: 4-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)-3-nitrophenyl]sulfonylmorpholine Traditional Name: 4-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylthio)-3-nitro-phenyl]sulfonylmorpholine Formula: C19H20N2O7S2 MolecularWeight: 452.5013

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)SC3=C(C=C(C=C3)S(=O)(=O)N4CCOCC4)[N+](=O)[O-])OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)SC3=C(C=C(C=C3)S(=O)(=O)N4CCOCC4)[N+](=O)[O-])OC1

InChI

InChI=1S/C19H20N2O7S2/c22-21(23)16-13-15(30(24,25)20-6-10-26-11-7-20)3-5-19(16)29-14-2-4-17-18(12-14)28-9-1-8-27-17/h2-5,12-13H,1,6-11H2