(3-cyanophenyl)methyl 3-[4-(diethylsulfamoyl)phenyl]propanoate

Systemtic Name: (3-cyanophenyl)methyl 3-[4-(diethylsulfamoyl)phenyl]propanoate Openeye Name: (3-cyanophenyl)methyl 3-[4-(diethylsulfamoyl)phenyl]propanoate CAS Name: 3-[4-(diethylsulfamoyl)phenyl]propanoic acid (3-cyanophenyl)methyl ester IUPAC Name: (3-cyanophenyl)methyl 3-[4-(diethylsulfamoyl)phenyl]propanoate Traditional Name: 3-[4-(diethylsulfamoyl)phenyl]propionic acid (3-cyanobenzyl) ester Formula: C21H24N2O4S MolecularWeight: 400.49126

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC=C(C=C1)CCC(=O)OCC2=CC=CC(=C2)C#N

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC=C(C=C1)CCC(=O)OCC2=CC=CC(=C2)C#N

InChI

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