[3-(dimethylsulfamoyl)phenyl]methyl 5-chloranyl-3-methyl-1-(phenylmethyl)pyrazole-4-carboxylate

Systemtic Name: [3-(dimethylsulfamoyl)phenyl]methyl 5-chloranyl-3-methyl-1-(phenylmethyl)pyrazole-4-carboxylate Openeye Name: [3-(dimethylsulfamoyl)phenyl]methyl 1-benzyl-5-chloro-3-methyl-pyrazole-4-carboxylate CAS Name: 5-chloro-3-methyl-1-(phenylmethyl)-4-pyrazolecarboxylic acid [3-(dimethylsulfamoyl)phenyl]methyl ester IUPAC Name: [3-(dimethylsulfamoyl)phenyl]methyl 1-benzyl-5-chloro-3-methylpyrazole-4-carboxylate Traditional Name: 1-benzyl-5-chloro-3-methyl-pyrazole-4-carboxylic acid [3-(dimethylsulfamoyl)benzyl] ester Formula: C21H22ClN3O4S MolecularWeight: 447.93508

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C(=O)OCC2=CC(=CC=C2)S(=O)(=O)N(C)C)Cl)CC3=CC=CC=C3

Isomeric SMILES

CC1=NN(C(=C1C(=O)OCC2=CC(=CC=C2)S(=O)(=O)N(C)C)Cl)CC3=CC=CC=C3

InChI

InChI=1S/C21H22ClN3O4S/c1-15-19(20(22)25(23-15)13-16-8-5-4-6-9-16)21(26)29-14-17-10-7-11-18(12-17)30(27,28)24(2)3/h4-12H,13-14H2,1-3H3