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

Systemtic Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 3-(propan-2-ylsulfamoyl)benzoate Openeye Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 3-(isopropylsulfamoyl)benzoate CAS Name: 3-(propan-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 3-(propan-2-ylsulfamoyl)benzoate Traditional Name: 3-(isopropylsulfamoyl)benzoic acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester Formula: C19H20N2O8S MolecularWeight: 436.4357

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H20N2O8S/c1-12(2)20-30(25,26)17-5-3-4-13(8-17)19(22)28-10-15-7-16(21(23)24)6-14-9-27-11-29-18(14)15/h3-8,12,20H,9-11H2,1-2H3