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

Systemtic Name: 5-[(3-cyanophenyl)sulfonylamino]-3-methyl-thiophene-2-carboxylic acid Openeye Name: 5-[(3-cyanophenyl)sulfonylamino]-3-methyl-thiophene-2-carboxylic acid CAS Name: 5-[(3-cyanophenyl)sulfonylamino]-3-methyl-2-thiophenecarboxylic acid IUPAC Name: 5-[(3-cyanophenyl)sulfonylamino]-3-methylthiophene-2-carboxylic acid Traditional Name: 5-[(3-cyanophenyl)sulfonylamino]-3-methyl-2-thenoic acid Formula: C13H10N2O4S2 MolecularWeight: 322.3595

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1)NS(=O)(=O)C2=CC=CC(=C2)C#N)C(=O)O

Isomeric SMILES

CC1=C(SC(=C1)NS(=O)(=O)C2=CC=CC(=C2)C#N)C(=O)O

InChI

InChI=1S/C13H10N2O4S2/c1-8-5-11(20-12(8)13(16)17)15-21(18,19)10-4-2-3-9(6-10)7-14/h2-6,15H,1H3,(H,16,17)