4-[cyano(methyl)carbamoyl]benzenesulfonic acid

Systemtic Name: 4-[cyano(methyl)carbamoyl]benzenesulfonic acid Openeye Name: 4-[cyano(methyl)carbamoyl]benzenesulfonic acid CAS Name: 4-[[cyano(methyl)amino]-oxomethyl]benzenesulfonic acid IUPAC Name: 4-[cyano(methyl)carbamoyl]benzenesulfonic acid Traditional Name: 4-[cyano(methyl)carbamoyl]besylic acid Formula: C9H8N2O4S MolecularWeight: 240.23582

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Descriptors Computed from Structure

Canonical SMILES:

CN(C#N)C(=O)C1=CC=C(C=C1)S(=O)(=O)O

Isomeric SMILES

CN(C#N)C(=O)C1=CC=C(C=C1)S(=O)(=O)O

InChI

InChI=1S/C9H8N2O4S/c1-11(6-10)9(12)7-2-4-8(5-3-7)16(13,14)15/h2-5H,1H3,(H,13,14,15)