ethyl 3,5-dimethyl-1-[4-[(4-methylsulfonylphenyl)methylcarbamoyl]phenyl]pyrazole-4-carboxylate

Systemtic Name: ethyl 3,5-dimethyl-1-[4-[(4-methylsulfonylphenyl)methylcarbamoyl]phenyl]pyrazole-4-carboxylate Openeye Name: ethyl 3,5-dimethyl-1-[4-[(4-methylsulfonylphenyl)methylcarbamoyl]phenyl]pyrazole-4-carboxylate CAS Name: 3,5-dimethyl-1-[4-[[(4-methylsulfonylphenyl)methylamino]-oxomethyl]phenyl]-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 3,5-dimethyl-1-[4-[(4-methylsulfonylphenyl)methylcarbamoyl]phenyl]pyrazole-4-carboxylate Traditional Name: 1-[4-[(4-mesylbenzyl)carbamoyl]phenyl]-3,5-dimethyl-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=C1C)C2=CC=C(C=C2)C(=O)NCC3=CC=C(C=C3)S(=O)(=O)C)C

Isomeric SMILES

CCOC(=O)C1=C(N(N=C1C)C2=CC=C(C=C2)C(=O)NCC3=CC=C(C=C3)S(=O)(=O)C)C

InChI

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