3-[4-(2-cyanoethylsulfamoyl)phenyl]propanoate

Systemtic Name: 3-[4-(2-cyanoethylsulfamoyl)phenyl]propanoate Openeye Name: 3-[4-(2-cyanoethylsulfamoyl)phenyl]propanoate CAS Name: 3-[4-(2-cyanoethylsulfamoyl)phenyl]propanoate IUPAC Name: 3-[4-(2-cyanoethylsulfamoyl)phenyl]propanoate Traditional Name: 3-[4-(2-cyanoethylsulfamoyl)phenyl]propionate Formula: C12H13N2O4S- MolecularWeight: 281.30762

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CCC(=O)[O-])S(=O)(=O)NCCC#N

Isomeric SMILES

C1=CC(=CC=C1CCC(=O)[O-])S(=O)(=O)NCCC#N

InChI

InChI=1S/C12H14N2O4S/c13-8-1-9-14-19(17,18)11-5-2-10(3-6-11)4-7-12(15)16/h2-3,5-6,14H,1,4,7,9H2,(H,15,16)/p-1