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

Systemtic Name: 5-[(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)sulfamoyl]thiophene-3-carboxylic acid Openeye Name: 5-[(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)sulfamoyl]thiophene-3-carboxylic acid CAS Name: 5-[(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)sulfamoyl]-3-thiophenecarboxylic acid IUPAC Name: 5-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)sulfamoyl]thiophene-3-carboxylic acid Traditional Name: 5-[(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)sulfamoyl]-3-thenoic acid Formula: C16H15N3O5S2 MolecularWeight: 393.4374

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NS(=O)(=O)C3=CC(=CS3)C(=O)O

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NS(=O)(=O)C3=CC(=CS3)C(=O)O

InChI

InChI=1S/C16H15N3O5S2/c1-10-14(15(20)19(18(10)2)12-6-4-3-5-7-12)17-26(23,24)13-8-11(9-25-13)16(21)22/h3-9,17H,1-2H3,(H,21,22)