ethyl 4-(2-methylsulfonyloxyethyl)-1-phenyl-5-(phenylcarbamoyl)pyrazole-3-carboxylate

Systemtic Name: ethyl 4-(2-methylsulfonyloxyethyl)-1-phenyl-5-(phenylcarbamoyl)pyrazole-3-carboxylate Openeye Name: ethyl 4-(2-methylsulfonyloxyethyl)-1-phenyl-5-(phenylcarbamoyl)pyrazole-3-carboxylate CAS Name: 5-[anilino(oxo)methyl]-4-(2-methylsulfonyloxyethyl)-1-phenyl-3-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(2-methylsulfonyloxyethyl)-1-phenyl-5-(phenylcarbamoyl)pyrazole-3-carboxylate Traditional Name: 4-(2-methylsulfonyloxyethyl)-1-phenyl-5-(phenylcarbamoyl)pyrazole-3-carboxylic acid ethyl ester Formula: C22H23N3O6S MolecularWeight: 457.49952

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NN(C(=C1CCOS(=O)(=O)C)C(=O)NC2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=NN(C(=C1CCOS(=O)(=O)C)C(=O)NC2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C22H23N3O6S/c1-3-30-22(27)19-18(14-15-31-32(2,28)29)20(21(26)23-16-10-6-4-7-11-16)25(24-19)17-12-8-5-9-13-17/h4-13H,3,14-15H2,1-2H3,(H,23,26)