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

Systemtic Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 3-[ethyl(phenyl)sulfamoyl]benzoate Openeye Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 3-[ethyl(phenyl)sulfamoyl]benzoate CAS Name: 3-[ethyl(phenyl)sulfamoyl]benzoic acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester IUPAC Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 3-[ethyl(phenyl)sulfamoyl]benzoate Traditional Name: 3-[ethyl(phenyl)sulfamoyl]benzoic acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester Formula: C24H22N2O8S MolecularWeight: 498.50508

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H22N2O8S/c1-2-25(20-8-4-3-5-9-20)35(30,31)22-10-6-7-17(13-22)24(27)33-15-19-12-21(26(28)29)11-18-14-32-16-34-23(18)19/h3-13H,2,14-16H2,1H3