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

Systemtic Name: methyl 2-[(4-chlorophenyl)carbamoyl]-4-methyl-5-(4-methylsulfonylphenyl)-3H-pyrazole-4-carboxylate Openeye Name: methyl 2-[(4-chlorophenyl)carbamoyl]-4-methyl-5-(4-methylsulfonylphenyl)-3H-pyrazole-4-carboxylate CAS Name: 2-[(4-chloroanilino)-oxomethyl]-4-methyl-5-(4-methylsulfonylphenyl)-3H-pyrazole-4-carboxylic acid methyl ester IUPAC Name: methyl 2-[(4-chlorophenyl)carbamoyl]-4-methyl-5-(4-methylsulfonylphenyl)-3H-pyrazole-4-carboxylate Traditional Name: 1-[(4-chlorophenyl)carbamoyl]-3-(4-mesylphenyl)-4-methyl-2-pyrazoline-4-carboxylic acid methyl ester Formula: C20H20ClN3O5S MolecularWeight: 449.9079

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CN(N=C1C2=CC=C(C=C2)S(=O)(=O)C)C(=O)NC3=CC=C(C=C3)Cl)C(=O)OC

Isomeric SMILES

CC1(CN(N=C1C2=CC=C(C=C2)S(=O)(=O)C)C(=O)NC3=CC=C(C=C3)Cl)C(=O)OC

InChI

InChI=1S/C20H20ClN3O5S/c1-20(18(25)29-2)12-24(19(26)22-15-8-6-14(21)7-9-15)23-17(20)13-4-10-16(11-5-13)30(3,27)28/h4-11H,12H2,1-3H3,(H,22,26)