5-[bis(cyanomethyl)sulfamoyl]-2-bromanyl-benzoic acid

Systemtic Name: 5-[bis(cyanomethyl)sulfamoyl]-2-bromanyl-benzoic acid Openeye Name: 5-[bis(cyanomethyl)sulfamoyl]-2-bromo-benzoic acid CAS Name: 5-[bis(cyanomethyl)sulfamoyl]-2-bromobenzoic acid IUPAC Name: 5-[bis(cyanomethyl)sulfamoyl]-2-bromobenzoic acid Traditional Name: 5-[bis(cyanomethyl)sulfamoyl]-2-bromo-benzoic acid Formula: C11H8BrN3O4S MolecularWeight: 358.16792

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H8BrN3O4S/c12-10-2-1-8(7-9(10)11(16)17)20(18,19)15(5-3-13)6-4-14/h1-2,7H,5-6H2,(H,16,17)