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

Systemtic Name: 5-[methyl-[(1-phenyl-3-thiophen-2-yl-pyrazol-4-yl)methyl]sulfamoyl]thiophene-3-carboxylic acid Openeye Name: 5-[methyl-[[1-phenyl-3-(2-thienyl)pyrazol-4-yl]methyl]sulfamoyl]thiophene-3-carboxylic acid CAS Name: 5-[methyl-[(1-phenyl-3-thiophen-2-yl-4-pyrazolyl)methyl]sulfamoyl]-3-thiophenecarboxylic acid IUPAC Name: 5-[methyl-[(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methyl]sulfamoyl]thiophene-3-carboxylic acid Traditional Name: 5-[methyl-[[1-phenyl-3-(2-thienyl)pyrazol-4-yl]methyl]sulfamoyl]-3-thenoic acid Formula: C20H17N3O4S3 MolecularWeight: 459.56168

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CN(N=C1C2=CC=CS2)C3=CC=CC=C3)S(=O)(=O)C4=CC(=CS4)C(=O)O

Isomeric SMILES

CN(CC1=CN(N=C1C2=CC=CS2)C3=CC=CC=C3)S(=O)(=O)C4=CC(=CS4)C(=O)O

InChI

InChI=1S/C20H17N3O4S3/c1-22(30(26,27)18-10-14(13-29-18)20(24)25)11-15-12-23(16-6-3-2-4-7-16)21-19(15)17-8-5-9-28-17/h2-10,12-13H,11H2,1H3,(H,24,25)