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

Systemtic Name: (6-chloranyl-4H-1,3-benzodioxin-8-yl)methyl 4-(2-cyanoethylsulfamoyl)benzoate Openeye Name: (6-chloro-4H-1,3-benzodioxin-8-yl)methyl 4-(2-cyanoethylsulfamoyl)benzoate CAS Name: 4-(2-cyanoethylsulfamoyl)benzoic acid (6-chloro-4H-1,3-benzodioxin-8-yl)methyl ester IUPAC Name: (6-chloro-4H-1,3-benzodioxin-8-yl)methyl 4-(2-cyanoethylsulfamoyl)benzoate Traditional Name: 4-(2-cyanoethylsulfamoyl)benzoic acid (6-chloro-4H-1,3-benzodioxin-8-yl)methyl ester Formula: C19H17ClN2O6S MolecularWeight: 436.86608

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC(=CC(=C2OCO1)COC(=O)C3=CC=C(C=C3)S(=O)(=O)NCCC#N)Cl

Isomeric SMILES

C1C2=CC(=CC(=C2OCO1)COC(=O)C3=CC=C(C=C3)S(=O)(=O)NCCC#N)Cl

InChI

InChI=1S/C19H17ClN2O6S/c20-16-8-14-10-26-12-28-18(14)15(9-16)11-27-19(23)13-2-4-17(5-3-13)29(24,25)22-7-1-6-21/h2-5,8-9,22H,1,7,10-12H2