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

Systemtic Name: ethyl 5-methyl-1-[3-[(4-methylsulfonylphenyl)carbonylamino]phenyl]pyrazole-4-carboxylate Openeye Name: ethyl 5-methyl-1-[3-[(4-methylsulfonylbenzoyl)amino]phenyl]pyrazole-4-carboxylate CAS Name: 5-methyl-1-[3-[[(4-methylsulfonylphenyl)-oxomethyl]amino]phenyl]-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-methyl-1-[3-[(4-methylsulfonylbenzoyl)amino]phenyl]pyrazole-4-carboxylate Traditional Name: 1-[3-[(4-mesylbenzoyl)amino]phenyl]-5-methyl-pyrazole-4-carboxylic acid ethyl ester Formula: C21H21N3O5S MolecularWeight: 427.47354

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21N3O5S/c1-4-29-21(26)19-13-22-24(14(19)2)17-7-5-6-16(12-17)23-20(25)15-8-10-18(11-9-15)30(3,27)28/h5-13H,4H2,1-3H3,(H,23,25)