4-[4-[(6-chloranyl-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-3-nitro-phenyl]sulfonylmorpholine

Systemtic Name: 4-[4-[(6-chloranyl-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-3-nitro-phenyl]sulfonylmorpholine Openeye Name: 4-[4-[(6-chloro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-3-nitro-phenyl]sulfonylmorpholine CAS Name: 4-[4-[(6-chloro-4H-1,3-benzodioxin-8-yl)methylthio]-3-nitrophenyl]sulfonylmorpholine IUPAC Name: 4-[4-[(6-chloro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-3-nitrophenyl]sulfonylmorpholine Traditional Name: 4-[4-[(6-chloro-4H-1,3-benzodioxin-8-yl)methylthio]-3-nitro-phenyl]sulfonylmorpholine Formula: C19H19ClN2O7S2 MolecularWeight: 486.94636

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1S(=O)(=O)C2=CC(=C(C=C2)SCC3=C4C(=CC(=C3)Cl)COCO4)[N+](=O)[O-]

Isomeric SMILES

C1COCCN1S(=O)(=O)C2=CC(=C(C=C2)SCC3=C4C(=CC(=C3)Cl)COCO4)[N+](=O)[O-]

InChI

InChI=1S/C19H19ClN2O7S2/c20-15-7-13-10-28-12-29-19(13)14(8-15)11-30-18-2-1-16(9-17(18)22(23)24)31(25,26)21-3-5-27-6-4-21/h1-2,7-9H,3-6,10-12H2