5-[(2-cyanophenyl)methylsulfonylamino]thiophene-2-carboxylic acid

Systemtic Name: 5-[(2-cyanophenyl)methylsulfonylamino]thiophene-2-carboxylic acid Openeye Name: 5-[(2-cyanophenyl)methylsulfonylamino]thiophene-2-carboxylic acid CAS Name: 5-[(2-cyanophenyl)methylsulfonylamino]-2-thiophenecarboxylic acid IUPAC Name: 5-[(2-cyanophenyl)methylsulfonylamino]thiophene-2-carboxylic acid Traditional Name: 5-[(2-cyanobenzyl)sulfonylamino]-2-thenoic acid Formula: C13H10N2O4S2 MolecularWeight: 322.3595

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)CS(=O)(=O)NC2=CC=C(S2)C(=O)O)C#N

Isomeric SMILES

C1=CC=C(C(=C1)CS(=O)(=O)NC2=CC=C(S2)C(=O)O)C#N

InChI

InChI=1S/C13H10N2O4S2/c14-7-9-3-1-2-4-10(9)8-21(18,19)15-12-6-5-11(20-12)13(16)17/h1-6,15H,8H2,(H,16,17)