(4-cyano-5-methyl-2-phenyl-pyrazol-3-yl)methyl 3-[4-(diethylsulfamoyl)phenyl]propanoate

Systemtic Name: (4-cyano-5-methyl-2-phenyl-pyrazol-3-yl)methyl 3-[4-(diethylsulfamoyl)phenyl]propanoate Openeye Name: (4-cyano-5-methyl-2-phenyl-pyrazol-3-yl)methyl 3-[4-(diethylsulfamoyl)phenyl]propanoate CAS Name: 3-[4-(diethylsulfamoyl)phenyl]propanoic acid (4-cyano-5-methyl-2-phenyl-3-pyrazolyl)methyl ester IUPAC Name: (4-cyano-5-methyl-2-phenylpyrazol-3-yl)methyl 3-[4-(diethylsulfamoyl)phenyl]propanoate Traditional Name: 3-[4-(diethylsulfamoyl)phenyl]propionic acid (4-cyano-5-methyl-2-phenyl-pyrazol-3-yl)methyl ester Formula: C25H28N4O4S MolecularWeight: 480.57922

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC=C(C=C1)CCC(=O)OCC2=C(C(=NN2C3=CC=CC=C3)C)C#N

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC=C(C=C1)CCC(=O)OCC2=C(C(=NN2C3=CC=CC=C3)C)C#N

InChI

InChI=1S/C25H28N4O4S/c1-4-28(5-2)34(31,32)22-14-11-20(12-15-22)13-16-25(30)33-18-24-23(17-26)19(3)27-29(24)21-9-7-6-8-10-21/h6-12,14-15H,4-5,13,16,18H2,1-3H3