(6-nitro-4H-1,3-benzodioxin-8-yl)methyl 3-[4-(diethylsulfamoyl)phenyl]propanoate

Systemtic Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 3-[4-(diethylsulfamoyl)phenyl]propanoate Openeye Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 3-[4-(diethylsulfamoyl)phenyl]propanoate CAS Name: 3-[4-(diethylsulfamoyl)phenyl]propanoic acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester IUPAC Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 3-[4-(diethylsulfamoyl)phenyl]propanoate Traditional Name: 3-[4-(diethylsulfamoyl)phenyl]propionic acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester Formula: C22H26N2O8S MolecularWeight: 478.51544

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC=C(C=C1)CCC(=O)OCC2=C3C(=CC(=C2)[N+](=O)[O-])COCO3

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC=C(C=C1)CCC(=O)OCC2=C3C(=CC(=C2)[N+](=O)[O-])COCO3

InChI

InChI=1S/C22H26N2O8S/c1-3-23(4-2)33(28,29)20-8-5-16(6-9-20)7-10-21(25)31-14-18-12-19(24(26)27)11-17-13-30-15-32-22(17)18/h5-6,8-9,11-12H,3-4,7,10,13-15H2,1-2H3