(4,5-dimethoxy-2-methyl-phenyl)methyl 4-(2-cyanoethylsulfamoyl)benzoate

Systemtic Name: (4,5-dimethoxy-2-methyl-phenyl)methyl 4-(2-cyanoethylsulfamoyl)benzoate Openeye Name: (4,5-dimethoxy-2-methyl-phenyl)methyl 4-(2-cyanoethylsulfamoyl)benzoate CAS Name: 4-(2-cyanoethylsulfamoyl)benzoic acid (4,5-dimethoxy-2-methylphenyl)methyl ester IUPAC Name: (4,5-dimethoxy-2-methylphenyl)methyl 4-(2-cyanoethylsulfamoyl)benzoate Traditional Name: 4-(2-cyanoethylsulfamoyl)benzoic acid (4,5-dimethoxy-2-methyl-benzyl) ester Formula: C20H22N2O6S MolecularWeight: 418.46348

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1COC(=O)C2=CC=C(C=C2)S(=O)(=O)NCCC#N)OC)OC

Isomeric SMILES

CC1=CC(=C(C=C1COC(=O)C2=CC=C(C=C2)S(=O)(=O)NCCC#N)OC)OC

InChI

InChI=1S/C20H22N2O6S/c1-14-11-18(26-2)19(27-3)12-16(14)13-28-20(23)15-5-7-17(8-6-15)29(24,25)22-10-4-9-21/h5-8,11-12,22H,4,10,13H2,1-3H3