(6-nitro-4H-1,3-benzodioxin-8-yl)methyl 4-[(4-methylphenyl)sulfamoyl]benzoate

Systemtic Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 4-[(4-methylphenyl)sulfamoyl]benzoate Openeye Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 4-(p-tolylsulfamoyl)benzoate CAS Name: 4-[(4-methylphenyl)sulfamoyl]benzoic acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester IUPAC Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 4-[(4-methylphenyl)sulfamoyl]benzoate Traditional Name: 4-(p-tolylsulfamoyl)benzoic acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester Formula: C23H20N2O8S MolecularWeight: 484.4785

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NS(=O)(=O)C2=CC=C(C=C2)C(=O)OCC3=C4C(=CC(=C3)[N+](=O)[O-])COCO4

Isomeric SMILES

CC1=CC=C(C=C1)NS(=O)(=O)C2=CC=C(C=C2)C(=O)OCC3=C4C(=CC(=C3)[N+](=O)[O-])COCO4

InChI

InChI=1S/C23H20N2O8S/c1-15-2-6-19(7-3-15)24-34(29,30)21-8-4-16(5-9-21)23(26)32-13-18-11-20(25(27)28)10-17-12-31-14-33-22(17)18/h2-11,24H,12-14H2,1H3