3-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl-methyl-sulfamoyl]thiophene-2-carboxylic acid

Systemtic Name: 3-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl-methyl-sulfamoyl]thiophene-2-carboxylic acid Openeye Name: 3-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl-methyl-sulfamoyl]thiophene-2-carboxylic acid CAS Name: 3-[(3,5-dimethyl-1-phenyl-4-pyrazolyl)methyl-methylsulfamoyl]-2-thiophenecarboxylic acid IUPAC Name: 3-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl-methylsulfamoyl]thiophene-2-carboxylic acid Traditional Name: 3-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl-methyl-sulfamoyl]-2-thenoic acid Formula: C18H19N3O4S2 MolecularWeight: 405.49116

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=CC=C2)C)CN(C)S(=O)(=O)C3=C(SC=C3)C(=O)O

Isomeric SMILES

CC1=C(C(=NN1C2=CC=CC=C2)C)CN(C)S(=O)(=O)C3=C(SC=C3)C(=O)O

InChI

InChI=1S/C18H19N3O4S2/c1-12-15(13(2)21(19-12)14-7-5-4-6-8-14)11-20(3)27(24,25)16-9-10-26-17(16)18(22)23/h4-10H,11H2,1-3H3,(H,22,23)