1-(4-chloranylsulfonyl-2-propan-2-yl-phenyl)-5-(2,6-dimethoxyphenyl)pyrazole-3-carboxylic acid

Systemtic Name: 1-(4-chloranylsulfonyl-2-propan-2-yl-phenyl)-5-(2,6-dimethoxyphenyl)pyrazole-3-carboxylic acid Openeye Name: 1-(4-chlorosulfonyl-2-isopropyl-phenyl)-5-(2,6-dimethoxyphenyl)pyrazole-3-carboxylic acid CAS Name: 1-(4-chlorosulfonyl-2-propan-2-ylphenyl)-5-(2,6-dimethoxyphenyl)-3-pyrazolecarboxylic acid IUPAC Name: 1-(4-chlorosulfonyl-2-propan-2-ylphenyl)-5-(2,6-dimethoxyphenyl)pyrazole-3-carboxylic acid Traditional Name: 1-(4-chlorosulfonyl-2-isopropyl-phenyl)-5-(2,6-dimethoxyphenyl)pyrazole-3-carboxylic acid Formula: C21H21ClN2O6S MolecularWeight: 464.91924

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C(C=CC(=C1)S(=O)(=O)Cl)N2C(=CC(=N2)C(=O)O)C3=C(C=CC=C3OC)OC

Isomeric SMILES

CC(C)C1=C(C=CC(=C1)S(=O)(=O)Cl)N2C(=CC(=N2)C(=O)O)C3=C(C=CC=C3OC)OC

InChI

InChI=1S/C21H21ClN2O6S/c1-12(2)14-10-13(31(22,27)28)8-9-16(14)24-17(11-15(23-24)21(25)26)20-18(29-3)6-5-7-19(20)30-4/h5-12H,1-4H3,(H,25,26)