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

Systemtic Name: methyl 5-(4-chlorophenyl)-4-methyl-2-[(4-methyl-2-sulfooxy-phenyl)carbamoyl]-3H-pyrazole-4-carboxylate Openeye Name: methyl 5-(4-chlorophenyl)-4-methyl-2-[(4-methyl-2-sulfooxy-phenyl)carbamoyl]-3H-pyrazole-4-carboxylate CAS Name: 5-(4-chlorophenyl)-4-methyl-2-[(4-methyl-2-sulfooxyanilino)-oxomethyl]-3H-pyrazole-4-carboxylic acid methyl ester IUPAC Name: methyl 5-(4-chlorophenyl)-4-methyl-2-[(4-methyl-2-sulfooxyphenyl)carbamoyl]-3H-pyrazole-4-carboxylate Traditional Name: 3-(4-chlorophenyl)-4-methyl-1-[(4-methyl-2-sulfoxy-phenyl)carbamoyl]-2-pyrazoline-4-carboxylic acid methyl ester Formula: C20H20ClN3O7S MolecularWeight: 481.9067

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)N2CC(C(=N2)C3=CC=C(C=C3)Cl)(C)C(=O)OC)OS(=O)(=O)O

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)N2CC(C(=N2)C3=CC=C(C=C3)Cl)(C)C(=O)OC)OS(=O)(=O)O

InChI

InChI=1S/C20H20ClN3O7S/c1-12-4-9-15(16(10-12)31-32(27,28)29)22-19(26)24-11-20(2,18(25)30-3)17(23-24)13-5-7-14(21)8-6-13/h4-10H,11H2,1-3H3,(H,22,26)(H,27,28,29)