3-[(2-bromanyl-5-cyano-phenyl)carbamoyl]benzenesulfonic acid

Systemtic Name: 3-[(2-bromanyl-5-cyano-phenyl)carbamoyl]benzenesulfonic acid Openeye Name: 3-[(2-bromo-5-cyano-phenyl)carbamoyl]benzenesulfonic acid CAS Name: 3-[(2-bromo-5-cyanoanilino)-oxomethyl]benzenesulfonic acid IUPAC Name: 3-[(2-bromo-5-cyanophenyl)carbamoyl]benzenesulfonic acid Traditional Name: 3-[(2-bromo-5-cyano-phenyl)carbamoyl]besylic acid Formula: C14H9BrN2O4S MolecularWeight: 381.20126

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)S(=O)(=O)O)C(=O)NC2=C(C=CC(=C2)C#N)Br

Isomeric SMILES

C1=CC(=CC(=C1)S(=O)(=O)O)C(=O)NC2=C(C=CC(=C2)C#N)Br

InChI

InChI=1S/C14H9BrN2O4S/c15-12-5-4-9(8-16)6-13(12)17-14(18)10-2-1-3-11(7-10)22(19,20)21/h1-7H,(H,17,18)(H,19,20,21)