3-[2-cyanoethyl(methyl)sulfamoyl]-4-methoxy-benzoate

Systemtic Name: 3-[2-cyanoethyl(methyl)sulfamoyl]-4-methoxy-benzoate Openeye Name: 3-[2-cyanoethyl(methyl)sulfamoyl]-4-methoxy-benzoate CAS Name: 3-[2-cyanoethyl(methyl)sulfamoyl]-4-methoxybenzoate IUPAC Name: 3-[2-cyanoethyl(methyl)sulfamoyl]-4-methoxybenzoate Traditional Name: 3-[2-cyanoethyl(methyl)sulfamoyl]-4-methoxy-benzoate Formula: C12H13N2O5S- MolecularWeight: 297.30702

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCC#N)S(=O)(=O)C1=C(C=CC(=C1)C(=O)[O-])OC

Isomeric SMILES

CN(CCC#N)S(=O)(=O)C1=C(C=CC(=C1)C(=O)[O-])OC

InChI

InChI=1S/C12H14N2O5S/c1-14(7-3-6-13)20(17,18)11-8-9(12(15)16)4-5-10(11)19-2/h4-5,8H,3,7H2,1-2H3,(H,15,16)/p-1