2-(3,5-dimethylphenoxy)ethyl 4-(2-cyanoethylsulfamoyl)benzoate

Systemtic Name: 2-(3,5-dimethylphenoxy)ethyl 4-(2-cyanoethylsulfamoyl)benzoate Openeye Name: 2-(3,5-dimethylphenoxy)ethyl 4-(2-cyanoethylsulfamoyl)benzoate CAS Name: 4-(2-cyanoethylsulfamoyl)benzoic acid 2-(3,5-dimethylphenoxy)ethyl ester IUPAC Name: 2-(3,5-dimethylphenoxy)ethyl 4-(2-cyanoethylsulfamoyl)benzoate Traditional Name: 4-(2-cyanoethylsulfamoyl)benzoic acid 2-(3,5-dimethylphenoxy)ethyl ester Formula: C20H22N2O5S MolecularWeight: 402.46408

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)OCCOC(=O)C2=CC=C(C=C2)S(=O)(=O)NCCC#N)C

Isomeric SMILES

CC1=CC(=CC(=C1)OCCOC(=O)C2=CC=C(C=C2)S(=O)(=O)NCCC#N)C

InChI

InChI=1S/C20H22N2O5S/c1-15-12-16(2)14-18(13-15)26-10-11-27-20(23)17-4-6-19(7-5-17)28(24,25)22-9-3-8-21/h4-7,12-14,22H,3,9-11H2,1-2H3