(4-cyano-5-methyl-2-phenyl-pyrazol-3-yl)methyl 4-chloranyl-3-(dimethylsulfamoyl)benzoate

Systemtic Name: (4-cyano-5-methyl-2-phenyl-pyrazol-3-yl)methyl 4-chloranyl-3-(dimethylsulfamoyl)benzoate Openeye Name: (4-cyano-5-methyl-2-phenyl-pyrazol-3-yl)methyl 4-chloro-3-(dimethylsulfamoyl)benzoate CAS Name: 4-chloro-3-(dimethylsulfamoyl)benzoic acid (4-cyano-5-methyl-2-phenyl-3-pyrazolyl)methyl ester IUPAC Name: (4-cyano-5-methyl-2-phenylpyrazol-3-yl)methyl 4-chloro-3-(dimethylsulfamoyl)benzoate Traditional Name: 4-chloro-3-(dimethylsulfamoyl)benzoic acid (4-cyano-5-methyl-2-phenyl-pyrazol-3-yl)methyl ester Formula: C21H19ClN4O4S MolecularWeight: 458.91796

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C#N)COC(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)N(C)C)C3=CC=CC=C3

Isomeric SMILES

CC1=NN(C(=C1C#N)COC(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)N(C)C)C3=CC=CC=C3

InChI

InChI=1S/C21H19ClN4O4S/c1-14-17(12-23)19(26(24-14)16-7-5-4-6-8-16)13-30-21(27)15-9-10-18(22)20(11-15)31(28,29)25(2)3/h4-11H,13H2,1-3H3