(7-chloranyl-1,3-benzodioxol-5-yl)methyl 5-(dimethylsulfamoyl)-2-(2-hydroxyethylamino)benzoate

Systemtic Name: (7-chloranyl-1,3-benzodioxol-5-yl)methyl 5-(dimethylsulfamoyl)-2-(2-hydroxyethylamino)benzoate Openeye Name: (7-chloro-1,3-benzodioxol-5-yl)methyl 5-(dimethylsulfamoyl)-2-(2-hydroxyethylamino)benzoate CAS Name: 5-(dimethylsulfamoyl)-2-(2-hydroxyethylamino)benzoic acid (7-chloro-1,3-benzodioxol-5-yl)methyl ester IUPAC Name: (7-chloro-1,3-benzodioxol-5-yl)methyl 5-(dimethylsulfamoyl)-2-(2-hydroxyethylamino)benzoate Traditional Name: 5-(dimethylsulfamoyl)-2-(2-hydroxyethylamino)benzoic acid (7-chloro-1,3-benzodioxol-5-yl)methyl ester Formula: C19H21ClN2O7S MolecularWeight: 456.89724

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C)S(=O)(=O)C1=CC(=C(C=C1)NCCO)C(=O)OCC2=CC3=C(C(=C2)Cl)OCO3

Isomeric SMILES

CN(C)S(=O)(=O)C1=CC(=C(C=C1)NCCO)C(=O)OCC2=CC3=C(C(=C2)Cl)OCO3

InChI

InChI=1S/C19H21ClN2O7S/c1-22(2)30(25,26)13-3-4-16(21-5-6-23)14(9-13)19(24)27-10-12-7-15(20)18-17(8-12)28-11-29-18/h3-4,7-9,21,23H,5-6,10-11H2,1-2H3