5-[(1,3-diphenylpyrazol-4-yl)methyl-methyl-sulfamoyl]thiophene-3-carboxylic acid

Systemtic Name: 5-[(1,3-diphenylpyrazol-4-yl)methyl-methyl-sulfamoyl]thiophene-3-carboxylic acid Openeye Name: 5-[(1,3-diphenylpyrazol-4-yl)methyl-methyl-sulfamoyl]thiophene-3-carboxylic acid CAS Name: 5-[(1,3-diphenyl-4-pyrazolyl)methyl-methylsulfamoyl]-3-thiophenecarboxylic acid IUPAC Name: 5-[(1,3-diphenylpyrazol-4-yl)methyl-methylsulfamoyl]thiophene-3-carboxylic acid Traditional Name: 5-[(1,3-diphenylpyrazol-4-yl)methyl-methyl-sulfamoyl]-3-thenoic acid Formula: C22H19N3O4S2 MolecularWeight: 453.53396

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CN(N=C1C2=CC=CC=C2)C3=CC=CC=C3)S(=O)(=O)C4=CC(=CS4)C(=O)O

Isomeric SMILES

CN(CC1=CN(N=C1C2=CC=CC=C2)C3=CC=CC=C3)S(=O)(=O)C4=CC(=CS4)C(=O)O

InChI

InChI=1S/C22H19N3O4S2/c1-24(31(28,29)20-12-17(15-30-20)22(26)27)13-18-14-25(19-10-6-3-7-11-19)23-21(18)16-8-4-2-5-9-16/h2-12,14-15H,13H2,1H3,(H,26,27)