4-[bis(cyanomethyl)sulfamoyl]-3-bromanyl-benzoate

Systemtic Name: 4-[bis(cyanomethyl)sulfamoyl]-3-bromanyl-benzoate Openeye Name: 4-[bis(cyanomethyl)sulfamoyl]-3-bromo-benzoate CAS Name: 4-[bis(cyanomethyl)sulfamoyl]-3-bromobenzoate IUPAC Name: 4-[bis(cyanomethyl)sulfamoyl]-3-bromobenzoate Traditional Name: 4-[bis(cyanomethyl)sulfamoyl]-3-bromo-benzoate Formula: C11H7BrN3O4S- MolecularWeight: 357.15998

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C(=O)[O-])Br)S(=O)(=O)N(CC#N)CC#N

Isomeric SMILES

C1=CC(=C(C=C1C(=O)[O-])Br)S(=O)(=O)N(CC#N)CC#N

InChI

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