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

Systemtic Name: 3-[bis(cyanomethyl)sulfamoyl]-4-methoxy-benzoate Openeye Name: 3-[bis(cyanomethyl)sulfamoyl]-4-methoxy-benzoate CAS Name: 3-[bis(cyanomethyl)sulfamoyl]-4-methoxybenzoate IUPAC Name: 3-[bis(cyanomethyl)sulfamoyl]-4-methoxybenzoate Traditional Name: 3-[bis(cyanomethyl)sulfamoyl]-4-methoxy-benzoate Formula: C12H10N3O5S- MolecularWeight: 308.2899

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)[O-])S(=O)(=O)N(CC#N)CC#N

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)[O-])S(=O)(=O)N(CC#N)CC#N

InChI

InChI=1S/C12H11N3O5S/c1-20-10-3-2-9(12(16)17)8-11(10)21(18,19)15(6-4-13)7-5-14/h2-3,8H,6-7H2,1H3,(H,16,17)/p-1