[1-[4-(methylsulfonylamino)phenyl]-1-oxidanylidene-propan-2-yl] 5-chloranyl-3-methyl-1-phenyl-pyrazole-4-carboxylate

Systemtic Name: [1-[4-(methylsulfonylamino)phenyl]-1-oxidanylidene-propan-2-yl] 5-chloranyl-3-methyl-1-phenyl-pyrazole-4-carboxylate Openeye Name: [2-[4-(methanesulfonamido)phenyl]-1-methyl-2-oxo-ethyl] 5-chloro-3-methyl-1-phenyl-pyrazole-4-carboxylate CAS Name: 5-chloro-3-methyl-1-phenyl-4-pyrazolecarboxylic acid [1-[4-(methanesulfonamido)phenyl]-1-oxopropan-2-yl] ester IUPAC Name: [1-[4-(methanesulfonamido)phenyl]-1-oxopropan-2-yl] 5-chloro-3-methyl-1-phenylpyrazole-4-carboxylate Traditional Name: 5-chloro-3-methyl-1-phenyl-pyrazole-4-carboxylic acid [2-keto-2-[4-(methanesulfonamido)phenyl]-1-methyl-ethyl] ester Formula: C21H20ClN3O5S MolecularWeight: 461.9186

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C(=O)OC(C)C(=O)C2=CC=C(C=C2)NS(=O)(=O)C)Cl)C3=CC=CC=C3

Isomeric SMILES

CC1=NN(C(=C1C(=O)OC(C)C(=O)C2=CC=C(C=C2)NS(=O)(=O)C)Cl)C3=CC=CC=C3

InChI

InChI=1S/C21H20ClN3O5S/c1-13-18(20(22)25(23-13)17-7-5-4-6-8-17)21(27)30-14(2)19(26)15-9-11-16(12-10-15)24-31(3,28)29/h4-12,14,24H,1-3H3