(6-chloranyl-4H-1,3-benzodioxin-8-yl)methyl 5-(dimethylsulfamoyl)-2-(2-hydroxyethylamino)benzoate

Systemtic Name: (6-chloranyl-4H-1,3-benzodioxin-8-yl)methyl 5-(dimethylsulfamoyl)-2-(2-hydroxyethylamino)benzoate Openeye Name: (6-chloro-4H-1,3-benzodioxin-8-yl)methyl 5-(dimethylsulfamoyl)-2-(2-hydroxyethylamino)benzoate CAS Name: 5-(dimethylsulfamoyl)-2-(2-hydroxyethylamino)benzoic acid (6-chloro-4H-1,3-benzodioxin-8-yl)methyl ester IUPAC Name: (6-chloro-4H-1,3-benzodioxin-8-yl)methyl 5-(dimethylsulfamoyl)-2-(2-hydroxyethylamino)benzoate Traditional Name: 5-(dimethylsulfamoyl)-2-(2-hydroxyethylamino)benzoic acid (6-chloro-4H-1,3-benzodioxin-8-yl)methyl ester Formula: C20H23ClN2O7S MolecularWeight: 470.92382

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)S(=O)(=O)C1=CC(=C(C=C1)NCCO)C(=O)OCC2=C3C(=CC(=C2)Cl)COCO3

Isomeric SMILES

CN(C)S(=O)(=O)C1=CC(=C(C=C1)NCCO)C(=O)OCC2=C3C(=CC(=C2)Cl)COCO3

InChI

InChI=1S/C20H23ClN2O7S/c1-23(2)31(26,27)16-3-4-18(22-5-6-24)17(9-16)20(25)29-11-14-8-15(21)7-13-10-28-12-30-19(13)14/h3-4,7-9,22,24H,5-6,10-12H2,1-2H3