ethyl 5-(4-chlorophenyl)-4-methyl-2-[(3-methylsulfonylphenyl)carbamoyl]-3H-pyrazole-4-carboxylate

Systemtic Name: ethyl 5-(4-chlorophenyl)-4-methyl-2-[(3-methylsulfonylphenyl)carbamoyl]-3H-pyrazole-4-carboxylate Openeye Name: ethyl 5-(4-chlorophenyl)-4-methyl-2-[(3-methylsulfonylphenyl)carbamoyl]-3H-pyrazole-4-carboxylate CAS Name: 5-(4-chlorophenyl)-4-methyl-2-[(3-methylsulfonylanilino)-oxomethyl]-3H-pyrazole-4-carboxylic acid ethyl ester IUPAC Name: ethyl 5-(4-chlorophenyl)-4-methyl-2-[(3-methylsulfonylphenyl)carbamoyl]-3H-pyrazole-4-carboxylate Traditional Name: 3-(4-chlorophenyl)-1-[(3-mesylphenyl)carbamoyl]-4-methyl-2-pyrazoline-4-carboxylic acid ethyl ester Formula: C21H22ClN3O5S MolecularWeight: 463.93448

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CN(N=C1C2=CC=C(C=C2)Cl)C(=O)NC3=CC(=CC=C3)S(=O)(=O)C)C

Isomeric SMILES

CCOC(=O)C1(CN(N=C1C2=CC=C(C=C2)Cl)C(=O)NC3=CC(=CC=C3)S(=O)(=O)C)C

InChI

InChI=1S/C21H22ClN3O5S/c1-4-30-19(26)21(2)13-25(24-18(21)14-8-10-15(22)11-9-14)20(27)23-16-6-5-7-17(12-16)31(3,28)29/h5-12H,4,13H2,1-3H3,(H,23,27)