(4-tert-butylphenyl)methyl 4-(2-cyanoethylsulfamoyl)benzoate

Systemtic Name: (4-tert-butylphenyl)methyl 4-(2-cyanoethylsulfamoyl)benzoate Openeye Name: (4-tert-butylphenyl)methyl 4-(2-cyanoethylsulfamoyl)benzoate CAS Name: 4-(2-cyanoethylsulfamoyl)benzoic acid (4-tert-butylphenyl)methyl ester IUPAC Name: (4-tert-butylphenyl)methyl 4-(2-cyanoethylsulfamoyl)benzoate Traditional Name: 4-(2-cyanoethylsulfamoyl)benzoic acid (4-tert-butylbenzyl) ester Formula: C21H24N2O4S MolecularWeight: 400.49126

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24N2O4S/c1-21(2,3)18-9-5-16(6-10-18)15-27-20(24)17-7-11-19(12-8-17)28(25,26)23-14-4-13-22/h5-12,23H,4,14-15H2,1-3H3