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

Systemtic Name: 3-[(2-methylphenyl)sulfonylamino]-5-(2-phenylethynyl)thiophene-2-carboxylic acid Openeye Name: 3-(o-tolylsulfonylamino)-5-(2-phenylethynyl)thiophene-2-carboxylic acid CAS Name: 3-[(2-methylphenyl)sulfonylamino]-5-(2-phenylethynyl)-2-thiophenecarboxylic acid IUPAC Name: 3-[(2-methylphenyl)sulfonylamino]-5-(2-phenylethynyl)thiophene-2-carboxylic acid Traditional Name: 3-(o-tolylsulfonylamino)-5-(2-phenylethynyl)-2-thenoic acid Formula: C20H15NO4S2 MolecularWeight: 397.4674

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1S(=O)(=O)NC2=C(SC(=C2)C#CC3=CC=CC=C3)C(=O)O

Isomeric SMILES

CC1=CC=CC=C1S(=O)(=O)NC2=C(SC(=C2)C#CC3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C20H15NO4S2/c1-14-7-5-6-10-18(14)27(24,25)21-17-13-16(26-19(17)20(22)23)12-11-15-8-3-2-4-9-15/h2-10,13,21H,1H3,(H,22,23)