3-aminocarbonyl-4-cyano-benzenesulfonic acid

Systemtic Name: 3-aminocarbonyl-4-cyano-benzenesulfonic acid Openeye Name: 3-carbamoyl-4-cyano-benzenesulfonic acid CAS Name: 3-carbamoyl-4-cyanobenzenesulfonic acid IUPAC Name: 3-carbamoyl-4-cyanobenzenesulfonic acid Traditional Name: 3-carbamoyl-4-cyano-besylic acid Formula: C8H6N2O4S MolecularWeight: 226.20924

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1S(=O)(=O)O)C(=O)N)C#N

Isomeric SMILES

C1=CC(=C(C=C1S(=O)(=O)O)C(=O)N)C#N

InChI

InChI=1S/C8H6N2O4S/c9-4-5-1-2-6(15(12,13)14)3-7(5)8(10)11/h1-3H,(H2,10,11)(H,12,13,14)