[3-(dimethylsulfamoyl)phenyl]methyl 4-(4-chloranyl-3,5-dimethyl-pyrazol-1-yl)benzoate

Systemtic Name: [3-(dimethylsulfamoyl)phenyl]methyl 4-(4-chloranyl-3,5-dimethyl-pyrazol-1-yl)benzoate Openeye Name: [3-(dimethylsulfamoyl)phenyl]methyl 4-(4-chloro-3,5-dimethyl-pyrazol-1-yl)benzoate CAS Name: 4-(4-chloro-3,5-dimethyl-1-pyrazolyl)benzoic acid [3-(dimethylsulfamoyl)phenyl]methyl ester IUPAC Name: [3-(dimethylsulfamoyl)phenyl]methyl 4-(4-chloro-3,5-dimethylpyrazol-1-yl)benzoate Traditional Name: 4-(4-chloro-3,5-dimethyl-pyrazol-1-yl)benzoic acid [3-(dimethylsulfamoyl)benzyl] ester Formula: C21H22ClN3O4S MolecularWeight: 447.93508

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=C(C=C2)C(=O)OCC3=CC(=CC=C3)S(=O)(=O)N(C)C)C)Cl

Isomeric SMILES

CC1=C(C(=NN1C2=CC=C(C=C2)C(=O)OCC3=CC(=CC=C3)S(=O)(=O)N(C)C)C)Cl

InChI

InChI=1S/C21H22ClN3O4S/c1-14-20(22)15(2)25(23-14)18-10-8-17(9-11-18)21(26)29-13-16-6-5-7-19(12-16)30(27,28)24(3)4/h5-12H,13H2,1-4H3