ethyl 1-[4-(methylamino)phenyl]-5-(4-methylsulfonylphenyl)pyrazole-3-carboxylate

Systemtic Name: ethyl 1-[4-(methylamino)phenyl]-5-(4-methylsulfonylphenyl)pyrazole-3-carboxylate Openeye Name: ethyl 1-[4-(methylamino)phenyl]-5-(4-methylsulfonylphenyl)pyrazole-3-carboxylate CAS Name: 1-[4-(methylamino)phenyl]-5-(4-methylsulfonylphenyl)-3-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[4-(methylamino)phenyl]-5-(4-methylsulfonylphenyl)pyrazole-3-carboxylate Traditional Name: 5-(4-mesylphenyl)-1-[4-(methylamino)phenyl]pyrazole-3-carboxylic acid ethyl ester Formula: C20H21N3O4S MolecularWeight: 399.46344

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NN(C(=C1)C2=CC=C(C=C2)S(=O)(=O)C)C3=CC=C(C=C3)NC

Isomeric SMILES

CCOC(=O)C1=NN(C(=C1)C2=CC=C(C=C2)S(=O)(=O)C)C3=CC=C(C=C3)NC

InChI

InChI=1S/C20H21N3O4S/c1-4-27-20(24)18-13-19(14-5-11-17(12-6-14)28(3,25)26)23(22-18)16-9-7-15(21-2)8-10-16/h5-13,21H,4H2,1-3H3