5-[1-(dimethylsulfamoyl)pyrazol-4-yl]-3-[(2-methylphenyl)sulfonylamino]thiophene-2-carboxylic acid

Systemtic Name: 5-[1-(dimethylsulfamoyl)pyrazol-4-yl]-3-[(2-methylphenyl)sulfonylamino]thiophene-2-carboxylic acid Openeye Name: 5-[1-(dimethylsulfamoyl)pyrazol-4-yl]-3-(o-tolylsulfonylamino)thiophene-2-carboxylic acid CAS Name: 5-[1-(dimethylsulfamoyl)-4-pyrazolyl]-3-[(2-methylphenyl)sulfonylamino]-2-thiophenecarboxylic acid IUPAC Name: 5-[1-(dimethylsulfamoyl)pyrazol-4-yl]-3-[(2-methylphenyl)sulfonylamino]thiophene-2-carboxylic acid Traditional Name: 5-[1-(dimethylsulfamoyl)pyrazol-4-yl]-3-(o-tolylsulfonylamino)-2-thenoic acid Formula: C17H18N4O6S3 MolecularWeight: 470.54302

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1S(=O)(=O)NC2=C(SC(=C2)C3=CN(N=C3)S(=O)(=O)N(C)C)C(=O)O

Isomeric SMILES

CC1=CC=CC=C1S(=O)(=O)NC2=C(SC(=C2)C3=CN(N=C3)S(=O)(=O)N(C)C)C(=O)O

InChI

InChI=1S/C17H18N4O6S3/c1-11-6-4-5-7-15(11)29(24,25)19-13-8-14(28-16(13)17(22)23)12-9-18-21(10-12)30(26,27)20(2)3/h4-10,19H,1-3H3,(H,22,23)