3-[4-[2-cyanoethyl(methyl)sulfamoyl]phenoxy]propanoic acid

Systemtic Name: 3-[4-[2-cyanoethyl(methyl)sulfamoyl]phenoxy]propanoic acid Openeye Name: 3-[4-[2-cyanoethyl(methyl)sulfamoyl]phenoxy]propanoic acid CAS Name: 3-[4-[2-cyanoethyl(methyl)sulfamoyl]phenoxy]propanoic acid IUPAC Name: 3-[4-[2-cyanoethyl(methyl)sulfamoyl]phenoxy]propanoic acid Traditional Name: 3-[4-[2-cyanoethyl(methyl)sulfamoyl]phenoxy]propionic acid Formula: C13H16N2O5S MolecularWeight: 312.34154

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCC#N)S(=O)(=O)C1=CC=C(C=C1)OCCC(=O)O

Isomeric SMILES

CN(CCC#N)S(=O)(=O)C1=CC=C(C=C1)OCCC(=O)O

InChI

InChI=1S/C13H16N2O5S/c1-15(9-2-8-14)21(18,19)12-5-3-11(4-6-12)20-10-7-13(16)17/h3-6H,2,7,9-10H2,1H3,(H,16,17)