3-[2-cyanoethyl(pyridin-3-ylmethyl)sulfamoyl]propanoate

Systemtic Name: 3-[2-cyanoethyl(pyridin-3-ylmethyl)sulfamoyl]propanoate Openeye Name: 3-[2-cyanoethyl(3-pyridylmethyl)sulfamoyl]propanoate CAS Name: 3-[2-cyanoethyl(3-pyridinylmethyl)sulfamoyl]propanoate IUPAC Name: 3-[2-cyanoethyl(pyridin-3-ylmethyl)sulfamoyl]propanoate Traditional Name: 3-[2-cyanoethyl(3-pyridylmethyl)sulfamoyl]propionate Formula: C12H14N3O4S- MolecularWeight: 296.32226

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H15N3O4S/c13-5-2-7-15(10-11-3-1-6-14-9-11)20(18,19)8-4-12(16)17/h1,3,6,9H,2,4,7-8,10H2,(H,16,17)/p-1