ethyl 5-methyl-1-[4-[1-(4-methylsulfonylphenyl)ethylcarbamoyl]phenyl]pyrazole-4-carboxylate

Systemtic Name: ethyl 5-methyl-1-[4-[1-(4-methylsulfonylphenyl)ethylcarbamoyl]phenyl]pyrazole-4-carboxylate Openeye Name: ethyl 5-methyl-1-[4-[1-(4-methylsulfonylphenyl)ethylcarbamoyl]phenyl]pyrazole-4-carboxylate CAS Name: 5-methyl-1-[4-[[1-(4-methylsulfonylphenyl)ethylamino]-oxomethyl]phenyl]-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-methyl-1-[4-[1-(4-methylsulfonylphenyl)ethylcarbamoyl]phenyl]pyrazole-4-carboxylate Traditional Name: 1-[4-[1-(4-mesylphenyl)ethylcarbamoyl]phenyl]-5-methyl-pyrazole-4-carboxylic acid ethyl ester Formula: C23H25N3O5S MolecularWeight: 455.5267

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H25N3O5S/c1-5-31-23(28)21-14-24-26(16(21)3)19-10-6-18(7-11-19)22(27)25-15(2)17-8-12-20(13-9-17)32(4,29)30/h6-15H,5H2,1-4H3,(H,25,27)