(6-nitro-4H-1,3-benzodioxin-8-yl)methyl 4-(butan-2-ylsulfamoyl)benzoate

Systemtic Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 4-(butan-2-ylsulfamoyl)benzoate Openeye Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 4-(sec-butylsulfamoyl)benzoate CAS Name: 4-(butan-2-ylsulfamoyl)benzoic acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester IUPAC Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 4-(butan-2-ylsulfamoyl)benzoate Traditional Name: 4-(sec-butylsulfamoyl)benzoic acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester Formula: C20H22N2O8S MolecularWeight: 450.46228

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22N2O8S/c1-3-13(2)21-31(26,27)18-6-4-14(5-7-18)20(23)29-11-16-9-17(22(24)25)8-15-10-28-12-30-19(15)16/h4-9,13,21H,3,10-12H2,1-2H3