4-[2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-5-nitro-phenyl]sulfonylmorpholine

Systemtic Name: 4-[2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-5-nitro-phenyl]sulfonylmorpholine Openeye Name: 4-[2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-5-nitro-phenyl]sulfonylmorpholine CAS Name: 4-[2-(2,3-dihydro-1,4-benzodioxin-6-ylthio)-5-nitrophenyl]sulfonylmorpholine IUPAC Name: 4-[2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-5-nitrophenyl]sulfonylmorpholine Traditional Name: 4-[2-(2,3-dihydro-1,4-benzodioxin-6-ylthio)-5-nitro-phenyl]sulfonylmorpholine Formula: C18H18N2O7S2 MolecularWeight: 438.47472

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1S(=O)(=O)C2=C(C=CC(=C2)[N+](=O)[O-])SC3=CC4=C(C=C3)OCCO4

Isomeric SMILES

C1COCCN1S(=O)(=O)C2=C(C=CC(=C2)[N+](=O)[O-])SC3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C18H18N2O7S2/c21-20(22)13-1-4-17(18(11-13)29(23,24)19-5-7-25-8-6-19)28-14-2-3-15-16(12-14)27-10-9-26-15/h1-4,11-12H,5-10H2