5-[2-cyanoethyl(methyl)sulfamoyl]-2-ethoxy-benzoic acid

Systemtic Name: 5-[2-cyanoethyl(methyl)sulfamoyl]-2-ethoxy-benzoic acid Openeye Name: 5-[2-cyanoethyl(methyl)sulfamoyl]-2-ethoxy-benzoic acid CAS Name: 5-[2-cyanoethyl(methyl)sulfamoyl]-2-ethoxybenzoic acid IUPAC Name: 5-[2-cyanoethyl(methyl)sulfamoyl]-2-ethoxybenzoic acid Traditional Name: 5-[2-cyanoethyl(methyl)sulfamoyl]-2-ethoxy-benzoic acid Formula: C13H16N2O5S MolecularWeight: 312.34154

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)S(=O)(=O)N(C)CCC#N)C(=O)O

Isomeric SMILES

CCOC1=C(C=C(C=C1)S(=O)(=O)N(C)CCC#N)C(=O)O

InChI

InChI=1S/C13H16N2O5S/c1-3-20-12-6-5-10(9-11(12)13(16)17)21(18,19)15(2)8-4-7-14/h5-6,9H,3-4,8H2,1-2H3,(H,16,17)