(6-nitro-4H-1,3-benzodioxin-8-yl)methyl 3-(diethylsulfamoyl)-4-methyl-benzoate

Systemtic Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 3-(diethylsulfamoyl)-4-methyl-benzoate Openeye Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 3-(diethylsulfamoyl)-4-methyl-benzoate CAS Name: 3-(diethylsulfamoyl)-4-methylbenzoic acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester IUPAC Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 3-(diethylsulfamoyl)-4-methylbenzoate Traditional Name: 3-(diethylsulfamoyl)-4-methyl-benzoic acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester Formula: C21H24N2O8S MolecularWeight: 464.48886

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24N2O8S/c1-4-22(5-2)32(27,28)19-10-15(7-6-14(19)3)21(24)30-12-17-9-18(23(25)26)8-16-11-29-13-31-20(16)17/h6-10H,4-5,11-13H2,1-3H3