(4-cyano-5-methyl-2-phenyl-pyrazol-3-yl)methyl 4-(diethylsulfamoyl)-1-methyl-pyrrole-2-carboxylate

Systemtic Name: (4-cyano-5-methyl-2-phenyl-pyrazol-3-yl)methyl 4-(diethylsulfamoyl)-1-methyl-pyrrole-2-carboxylate Openeye Name: (4-cyano-5-methyl-2-phenyl-pyrazol-3-yl)methyl 4-(diethylsulfamoyl)-1-methyl-pyrrole-2-carboxylate CAS Name: 4-(diethylsulfamoyl)-1-methyl-2-pyrrolecarboxylic acid (4-cyano-5-methyl-2-phenyl-3-pyrazolyl)methyl ester IUPAC Name: (4-cyano-5-methyl-2-phenylpyrazol-3-yl)methyl 4-(diethylsulfamoyl)-1-methylpyrrole-2-carboxylate Traditional Name: 4-(diethylsulfamoyl)-1-methyl-pyrrole-2-carboxylic acid (4-cyano-5-methyl-2-phenyl-pyrazol-3-yl)methyl ester Formula: C22H25N5O4S MolecularWeight: 455.53

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25N5O4S/c1-5-26(6-2)32(29,30)18-12-20(25(4)14-18)22(28)31-15-21-19(13-23)16(3)24-27(21)17-10-8-7-9-11-17/h7-12,14H,5-6,15H2,1-4H3