1-(3,4-dimethylphenyl)-5-methyl-3-[3-(methylsulfonylamino)phenyl]pyrazole-4-carboxylic acid

Systemtic Name: 1-(3,4-dimethylphenyl)-5-methyl-3-[3-(methylsulfonylamino)phenyl]pyrazole-4-carboxylic acid Openeye Name: 1-(3,4-dimethylphenyl)-3-[3-(methanesulfonamido)phenyl]-5-methyl-pyrazole-4-carboxylic acid CAS Name: 1-(3,4-dimethylphenyl)-3-[3-(methanesulfonamido)phenyl]-5-methyl-4-pyrazolecarboxylic acid IUPAC Name: 1-(3,4-dimethylphenyl)-3-[3-(methanesulfonamido)phenyl]-5-methylpyrazole-4-carboxylic acid Traditional Name: 1-(3,4-dimethylphenyl)-3-[3-(methanesulfonamido)phenyl]-5-methyl-pyrazole-4-carboxylic acid Formula: C20H21N3O4S MolecularWeight: 399.46344

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2C(=C(C(=N2)C3=CC(=CC=C3)NS(=O)(=O)C)C(=O)O)C)C

Isomeric SMILES

CC1=C(C=C(C=C1)N2C(=C(C(=N2)C3=CC(=CC=C3)NS(=O)(=O)C)C(=O)O)C)C

InChI

InChI=1S/C20H21N3O4S/c1-12-8-9-17(10-13(12)2)23-14(3)18(20(24)25)19(21-23)15-6-5-7-16(11-15)22-28(4,26)27/h5-11,22H,1-4H3,(H,24,25)