3-[(3-cyanophenyl)methylsulfonylamino]thiophene-2-carboxylic acid

Systemtic Name: 3-[(3-cyanophenyl)methylsulfonylamino]thiophene-2-carboxylic acid Openeye Name: 3-[(3-cyanophenyl)methylsulfonylamino]thiophene-2-carboxylic acid CAS Name: 3-[(3-cyanophenyl)methylsulfonylamino]-2-thiophenecarboxylic acid IUPAC Name: 3-[(3-cyanophenyl)methylsulfonylamino]thiophene-2-carboxylic acid Traditional Name: 3-[(3-cyanobenzyl)sulfonylamino]-2-thenoic acid Formula: C13H10N2O4S2 MolecularWeight: 322.3595

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)CS(=O)(=O)NC2=C(SC=C2)C(=O)O)C#N

Isomeric SMILES

C1=CC(=CC(=C1)CS(=O)(=O)NC2=C(SC=C2)C(=O)O)C#N

InChI

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