5-[methyl-[[1-(phenylmethyl)pyrazol-4-yl]methyl]sulfamoyl]thiophene-3-carboxylic acid

Systemtic Name: 5-[methyl-[[1-(phenylmethyl)pyrazol-4-yl]methyl]sulfamoyl]thiophene-3-carboxylic acid Openeye Name: 5-[(1-benzylpyrazol-4-yl)methyl-methyl-sulfamoyl]thiophene-3-carboxylic acid CAS Name: 5-[methyl-[[1-(phenylmethyl)-4-pyrazolyl]methyl]sulfamoyl]-3-thiophenecarboxylic acid IUPAC Name: 5-[(1-benzylpyrazol-4-yl)methyl-methylsulfamoyl]thiophene-3-carboxylic acid Traditional Name: 5-[(1-benzylpyrazol-4-yl)methyl-methyl-sulfamoyl]-3-thenoic acid Formula: C17H17N3O4S2 MolecularWeight: 391.46458

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CN(N=C1)CC2=CC=CC=C2)S(=O)(=O)C3=CC(=CS3)C(=O)O

Isomeric SMILES

CN(CC1=CN(N=C1)CC2=CC=CC=C2)S(=O)(=O)C3=CC(=CS3)C(=O)O

InChI

InChI=1S/C17H17N3O4S2/c1-19(26(23,24)16-7-15(12-25-16)17(21)22)9-14-8-18-20(11-14)10-13-5-3-2-4-6-13/h2-8,11-12H,9-10H2,1H3,(H,21,22)