5-(4-cyanophenyl)-3-[(4-methylphenyl)sulfonylamino]thiophene-2-carboxylic acid

Systemtic Name: 5-(4-cyanophenyl)-3-[(4-methylphenyl)sulfonylamino]thiophene-2-carboxylic acid Openeye Name: 5-(4-cyanophenyl)-3-(p-tolylsulfonylamino)thiophene-2-carboxylic acid CAS Name: 5-(4-cyanophenyl)-3-[(4-methylphenyl)sulfonylamino]-2-thiophenecarboxylic acid IUPAC Name: 5-(4-cyanophenyl)-3-[(4-methylphenyl)sulfonylamino]thiophene-2-carboxylic acid Traditional Name: 5-(4-cyanophenyl)-3-(tosylamino)-2-thenoic acid Formula: C19H14N2O4S2 MolecularWeight: 398.45546

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC2=C(SC(=C2)C3=CC=C(C=C3)C#N)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC2=C(SC(=C2)C3=CC=C(C=C3)C#N)C(=O)O

InChI

InChI=1S/C19H14N2O4S2/c1-12-2-8-15(9-3-12)27(24,25)21-16-10-17(26-18(16)19(22)23)14-6-4-13(11-20)5-7-14/h2-10,21H,1H3,(H,22,23)